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Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
BUPRENORPHINE HYDROCHLORIDE
(1981)
Small molecule
Kappa opioid receptor agonist
BUCCAL; IMPLANTATION; INJECTION; SUBLINGUAL
Approved
Unknown
BUPRENORPHINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1981
UNII:
56W8MW3EN1
Molecule Type:
Small molecule
Molecular Formula:
C29H42ClNO4
Molecular Weight:
504.11
AlogP:
4.41
PSA:
62.16
HBD:
2.0
HBA:
#RotB:
4.0
Source:
ALBUTEROL
(1981)
Small molecule
Beta-2 adrenergic receptor agonist
INHALATION
Approved
Asthma, Exercise-Induced; Bronchial Spasm; Lung Diseases, Obstructive; Pulmonary Disease, Chronic Obstructive
ALBUTEROL
×
Maximum Phase:
4
First Approval:
1981
UNII:
QF8SVZ843E
Molecule Type:
Small molecule
Molecular Formula:
C13H21NO3
Molecular Weight:
239.31
AlogP:
1.31
PSA:
72.72
HBD:
4.0
HBA:
#RotB:
4.0
Source:
PIPERACILLIN SODIUM
(1981)
Small molecule
Bacterial penicillin-binding protein inhibitor
INJECTION
Approved
Appendicitis; Cellulitis; Diabetic Foot; Endometritis; Healthcare-Associated Pneumonia; Pelvic Inflammatory Disease; Peritonitis; Pneumonia
PIPERACILLIN SODIUM
×
Maximum Phase:
4
First Approval:
1981
UNII:
M98T69Q7HP
Molecule Type:
Small molecule
Molecular Formula:
C23H26N5NaO7S
Molecular Weight:
539.55
AlogP:
-0.24
PSA:
156.43
HBD:
3.0
HBA:
#RotB:
6.0
Source:
CEFOTAXIME SODIUM
(1981)
Small molecule
Bacterial penicillin-binding protein inhibitor
INJECTION
Approved
Gonorrhea; Infections; Pneumonia
CEFOTAXIME SODIUM
×
Maximum Phase:
4
First Approval:
1981
UNII:
258J72S7TZ
Molecule Type:
Small molecule
Molecular Formula:
C16H16N5NaO7S2
Molecular Weight:
477.46
AlogP:
-0.62
PSA:
173.51
HBD:
3.0
HBA:
#RotB:
7.0
Source:
CEFOTAXIME
(1981)
Small molecule
Unknown
Unknown
Approved
Bacterial Infections
CEFOTAXIME
×
Maximum Phase:
4
First Approval:
1981
UNII:
N2GI8B1GK7
Molecule Type:
Small molecule
Molecular Formula:
C16H17N5O7S2
Molecular Weight:
455.47
AlogP:
-0.62
PSA:
173.51
HBD:
3.0
HBA:
#RotB:
7.0
Source:
SULFADOXINE
(1981)
Small molecule
Dihydropteroate synthetase inhibitor
Unknown
Approved
Unknown
SULFADOXINE
×
Maximum Phase:
4
First Approval:
1981
UNII:
88463U4SM5
Molecule Type:
Small molecule
Molecular Formula:
C12H14N4O4S
Molecular Weight:
310.34
AlogP:
0.88
PSA:
116.43
HBD:
2.0
HBA:
#RotB:
5.0
Source:
MEZLOCILLIN
(1981)
Small molecule
Unknown
Unknown
Approved
Bacterial Infections
MEZLOCILLIN
×
Maximum Phase:
4
First Approval:
1981
UNII:
OH2O403D1G
Molecule Type:
Small molecule
Molecular Formula:
C21H25N5O8S2
Molecular Weight:
539.59
AlogP:
-0.23
PSA:
173.5
HBD:
3.0
HBA:
#RotB:
6.0
Source:
ATENOLOL
(1981)
Small molecule
Beta-1 adrenergic receptor antagonist
INJECTION; ORAL
Approved
Angina Pectoris; Cardiovascular Diseases; Coronary Artery Disease; Diabetes Mellitus; Hypertension; Myocardial Infarction; Stroke
ATENOLOL
×
Maximum Phase:
4
First Approval:
1981
UNII:
50VV3VW0TI
Molecule Type:
Small molecule
Molecular Formula:
C14H22N2O3
Molecular Weight:
266.34
AlogP:
0.45
PSA:
84.58
HBD:
3.0
HBA:
#RotB:
8.0
Source:
MAGNESIUM SULFATE
(1981)
Small molecule
Unknown
INJECTION; INTRAMUSCULAR; INTRAVENOUS
Approved
Anemia; Anemia, Iron-Deficiency; Constipation; Eclampsia; Folic Acid Deficiency; Magnesium Deficiency; Pre-Eclampsia; Seizures; Toxemia
MAGNESIUM SULFATE
×
Maximum Phase:
4
First Approval:
1981
UNII:
SK47B8698T
Molecule Type:
Small molecule
Molecular Formula:
H14MgO11S
Molecular Weight:
246.47
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
TRAZODONE
(1981)
Small molecule
Unknown
Unknown
Approved
Depressive Disorder
TRAZODONE
×
Maximum Phase:
4
First Approval:
1981
UNII:
YBK48BXK30
Molecule Type:
Small molecule
Molecular Formula:
C19H22ClN5O
Molecular Weight:
371.87
AlogP:
2.36
PSA:
45.78
HBD:
0.0
HBA:
#RotB:
5.0
Source:
AMILORIDE HYDROCHLORIDE
(1981)
Small molecule
Amiloride-sensitive sodium channel, ENaC blocker
ORAL
Approved
Arrhythmias, Cardiac; Heart Failure; Hypertension
AMILORIDE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1981
UNII:
FZJ37245UC
Molecule Type:
Small molecule
Molecular Formula:
C6H13Cl2N7O3
Molecular Weight:
302.12
AlogP:
-1.08
PSA:
156.79
HBD:
5.0
HBA:
#RotB:
1.0
Source:
ALPRAZOLAM
(1981)
Small molecule
GABA-A receptor; anion channel positive allosteric modulator
ORAL
Approved
Anxiety; Anxiety Disorders; Panic Disorder
ALPRAZOLAM
×
Maximum Phase:
4
First Approval:
1981
UNII:
YU55MQ3IZY
Molecule Type:
Small molecule
Molecular Formula:
C17H13ClN4
Molecular Weight:
308.77
AlogP:
3.58
PSA:
43.07
HBD:
0.0
HBA:
#RotB:
1.0
Source:
CAPTOPRIL
(1981)
Small molecule
Angiotensin-converting enzyme inhibitor
ORAL
Approved
Cardiovascular Diseases; Collagen Diseases; Diabetic Nephropathies; Diabetic Retinopathy; Heart Failure; Hypertension; Myocardial Infarction; Renal Insufficiency; Ventricular Dysfunction, Left
CAPTOPRIL
×
Maximum Phase:
4
First Approval:
1981
UNII:
9G64RSX1XD
Molecule Type:
Small molecule
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.29
AlogP:
0.63
PSA:
57.61
HBD:
2.0
HBA:
#RotB:
3.0
Source:
OXTRIPHYLLINE
(1981)
Small molecule
Adenosine receptor antagonist
ORAL
Approved
Lung Diseases, Obstructive
OXTRIPHYLLINE
×
Maximum Phase:
4
First Approval:
1981
UNII:
3K045XR58X
Molecule Type:
Small molecule
Molecular Formula:
C12H21N5O3
Molecular Weight:
283.33
AlogP:
-1.04
PSA:
72.68
HBD:
1.0
HBA:
#RotB:
0.0
Source:
NITROGLYCERIN
(1981)
Small molecule
Soluble guanylate cyclase activator
INJECTION; INTRA-ANAL; SUBLINGUAL; TRANSDERMAL
Approved
Angina Pectoris; Cardiovascular Diseases; Coronary Artery Disease; Heart Failure; Hemorrhoids; Hypertension; Myocardial Infarction; Pain
NITROGLYCERIN
×
Maximum Phase:
4
First Approval:
1981
UNII:
G59M7S0WS3
Molecule Type:
Small molecule
Molecular Formula:
C3H5N3O9
Molecular Weight:
227.09
AlogP:
-1.02
PSA:
157.11
HBD:
0.0
HBA:
#RotB:
8.0
Source:
AMIKACIN SULFATE
(1981)
Small molecule
Bacterial 70S ribosome inhibitor
INHALATION; INJECTION
Approved
Infections; Intraabdominal Infections; Lung Diseases; Meningitis; Peritonitis; Sepsis; Staphylococcal Infections; Urinary Tract Infections
AMIKACIN SULFATE
×
Maximum Phase:
4
First Approval:
1981
UNII:
N6M33094FD
Molecule Type:
Small molecule
Molecular Formula:
C22H47N5O21S2
Molecular Weight:
781.77
AlogP:
-8.42
PSA:
331.94
HBD:
13.0
HBA:
#RotB:
10.0
Source:
NITROPRUSSIDE
(1981)
Small molecule
Unknown
Unknown
Approved
Unknown
NITROPRUSSIDE
×
Maximum Phase:
4
First Approval:
1981
UNII:
169D1260KM
Molecule Type:
Small molecule
Molecular Formula:
C5FeN6O-2
Molecular Weight:
215.94
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
PIPERACILLIN
(1981)
Small molecule
Unknown
Unknown
Approved
Bacterial Infections
PIPERACILLIN
×
Maximum Phase:
4
First Approval:
1981
UNII:
9I628532GX
Molecule Type:
Small molecule
Molecular Formula:
C23H27N5O7S
Molecular Weight:
517.56
AlogP:
-0.24
PSA:
156.43
HBD:
3.0
HBA:
#RotB:
6.0
Source:
ESTRAMUSTINE PHOSPHATE SODIUM
(1981)
Small molecule
DNA inhibitor
ORAL
Approved
Carcinoma; Neoplasms
ESTRAMUSTINE PHOSPHATE SODIUM
×
Maximum Phase:
4
First Approval:
1981
UNII:
IQ856M1R16
Molecule Type:
Small molecule
Molecular Formula:
C23H30Cl2NNa2O6P
Molecular Weight:
564.35
AlogP:
5.3
PSA:
96.3
HBD:
2.0
HBA:
#RotB:
7.0
Source:
DEXCHLORPHENIRAMINE MALEATE
(1981)
Small molecule
Histamine H1 receptor antagonist
ORAL
Approved
Angioedema; Conjunctivitis, Allergic; Hypersensitivity; Rhinitis, Allergic, Perennial; Rhinitis, Allergic, Seasonal; Rhinitis, Vasomotor; Urticaria
DEXCHLORPHENIRAMINE MALEATE
×
Maximum Phase:
4
First Approval:
1981
UNII:
B10YD955QW
Molecule Type:
Small molecule
Molecular Formula:
C20H23ClN2O4
Molecular Weight:
390.87
AlogP:
3.82
PSA:
16.13
HBD:
0.0
HBA:
#RotB:
5.0
Source:
AMILORIDE
(1981)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases
AMILORIDE
×
Maximum Phase:
4
First Approval:
1981
UNII:
7DZO8EB0Z3
Molecule Type:
Small molecule
Molecular Formula:
C6H8ClN7O
Molecular Weight:
229.63
AlogP:
-1.08
PSA:
156.79
HBD:
5.0
HBA:
#RotB:
1.0
Source:
TEMAZEPAM
(1981)
Small molecule
GABA-A receptor; anion channel positive allosteric modulator
ORAL
Approved
Sleep Initiation and Maintenance Disorders
TEMAZEPAM
×
Maximum Phase:
4
First Approval:
1981
UNII:
CHB1QD2QSS
Molecule Type:
Small molecule
Molecular Formula:
C16H13ClN2O2
Molecular Weight:
300.75
AlogP:
2.47
PSA:
52.9
HBD:
1.0
HBA:
#RotB:
1.0
Source:
MEZLOCILLIN SODIUM
(1981)
Small molecule
Bacterial penicillin-binding protein inhibitor
Unknown
Approved
Unknown
MEZLOCILLIN SODIUM
×
Maximum Phase:
4
First Approval:
1981
UNII:
RX227TP94U
Molecule Type:
Small molecule
Molecular Formula:
C21H24N5NaO8S2
Molecular Weight:
561.57
AlogP:
-0.23
PSA:
173.5
HBD:
3.0
HBA:
#RotB:
6.0
Source:
KETOCONAZOLE
(1981)
Small molecule
Cytochrome P450 51 inhibitor
ORAL; TOPICAL
Approved
Adrenal Gland Diseases; Blastomycosis; Dermatitis, Seborrheic; Onychomycosis; Tinea; Tinea Pedis
KETOCONAZOLE
×
Maximum Phase:
4
First Approval:
1981
UNII:
R9400W927I
Molecule Type:
Small molecule
Molecular Formula:
C26H28Cl2N4O4
Molecular Weight:
531.44
AlogP:
4.21
PSA:
69.06
HBD:
0.0
HBA:
#RotB:
7.0
Source:
SODIUM NITROPRUSSIDE
(1981)
Small molecule
Soluble guanylate cyclase activator
INJECTION; INTRAVENOUS
Approved
Unknown
SODIUM NITROPRUSSIDE
×
Maximum Phase:
4
First Approval:
1981
UNII:
EAO03PE1TC
Molecule Type:
Small molecule
Molecular Formula:
C5FeN6Na2O
Molecular Weight:
261.92
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
GEMFIBROZIL
(1981)
Small molecule
Peroxisome proliferator-activated receptor alpha agonist
ORAL
Approved
Abdominal Pain; Cardiovascular Diseases; Coronary Disease
GEMFIBROZIL
×
Maximum Phase:
4
First Approval:
1981
UNII:
Q8X02027X3
Molecule Type:
Small molecule
Molecular Formula:
C15H22O3
Molecular Weight:
250.34
AlogP:
3.57
PSA:
46.53
HBD:
1.0
HBA:
#RotB:
6.0
Source:
FLUNISOLIDE
(1981)
Small molecule
Glucocorticoid receptor agonist
INHALATION; NASAL
Approved
Asthma; Lung Diseases, Obstructive; Nasal Obstruction; Rhinitis
FLUNISOLIDE
×
Maximum Phase:
4
First Approval:
1981
UNII:
78M02AA8KF
Molecule Type:
Small molecule
Molecular Formula:
C24H31FO6
Molecular Weight:
434.5
AlogP:
2.27
PSA:
93.06
HBD:
2.0
HBA:
#RotB:
2.0
Source:
DEXCHLORPHENIRAMINE
(1981)
Small molecule
Unknown
Unknown
Approved
Hypersensitivity
DEXCHLORPHENIRAMINE
×
Maximum Phase:
4
First Approval:
1981
UNII:
3Q9Q0B929N
Molecule Type:
Small molecule
Molecular Formula:
C16H19ClN2
Molecular Weight:
274.8
AlogP:
3.82
PSA:
16.13
HBD:
0.0
HBA:
#RotB:
5.0
Source:
ESTRAMUSTINE PHOSPHATE
(1981)
Small molecule
Unknown
Unknown
Approved
Unknown
ESTRAMUSTINE PHOSPHATE
×
Maximum Phase:
4
First Approval:
1981
UNII:
MUZ9585Y7B
Molecule Type:
Small molecule
Molecular Formula:
C23H32Cl2NO6P
Molecular Weight:
520.39
AlogP:
5.3
PSA:
96.3
HBD:
2.0
HBA:
#RotB:
7.0
Source:
VERAPAMIL HYDROCHLORIDE
(1981)
Small molecule
Voltage-gated L-type calcium channel blocker
Unknown
Approved
Arrhythmias, Cardiac; Diabetes Mellitus; Hypertension
VERAPAMIL HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1981
UNII:
V3888OEY5R
Molecule Type:
Small molecule
Molecular Formula:
C27H39ClN2O4
Molecular Weight:
491.07
AlogP:
5.09
PSA:
63.95
HBD:
0.0
HBA:
#RotB:
13.0
Source:
NIFEDIPINE
(1981)
Small molecule
Voltage-gated L-type calcium channel blocker
ORAL
Approved
Cardiovascular Diseases; Coronary Vasospasm; Hypertension
NIFEDIPINE
×
Maximum Phase:
4
First Approval:
1981
UNII:
I9ZF7L6G2L
Molecule Type:
Small molecule
Molecular Formula:
C17H18N2O6
Molecular Weight:
346.34
AlogP:
2.18
PSA:
107.77
HBD:
1.0
HBA:
#RotB:
4.0
Source:
ISOSULFAN BLUE
(1981)
Small molecule
Unknown
INJECTION
Approved
Unknown
ISOSULFAN BLUE
×
Maximum Phase:
4
First Approval:
1981
UNII:
39N9K8S2A4
Molecule Type:
Small molecule
Molecular Formula:
C27H32N2O6S2
Molecular Weight:
544.7
AlogP:
4.1
PSA:
117.82
HBD:
1.0
HBA:
#RotB:
9.0
Source:
ALPROSTADIL
(1981)
Small molecule
Prostanoid EP1 receptor agonist
INJECTION; URETHRAL
Approved
Cardiovascular Diseases; Ductus Arteriosus, Patent; Erectile Dysfunction
ALPROSTADIL
×
Maximum Phase:
4
First Approval:
1981
UNII:
F5TD010360
Molecule Type:
Small molecule
Molecular Formula:
C20H34O5
Molecular Weight:
354.49
AlogP:
3.48
PSA:
94.83
HBD:
3.0
HBA:
#RotB:
13.0
Source:
MITOMYCIN
(1981)
Small molecule
DNA inhibitor
INJECTION; TOPICAL
Approved
Adenocarcinoma; Glaucoma; Neoplasms
MITOMYCIN
×
Maximum Phase:
4
First Approval:
1981
UNII:
50SG953SK6
Molecule Type:
Small molecule
Molecular Formula:
C15H18N4O5
Molecular Weight:
334.33
AlogP:
-1.65
PSA:
146.89
HBD:
3.0
HBA:
#RotB:
3.0
Source:
HALAZEPAM
(1981)
Small molecule
GABA-A receptor; anion channel positive allosteric modulator
ORAL
Approved
Anxiety
HALAZEPAM
×
Maximum Phase:
4
First Approval:
1981
UNII:
320YC168LF
Molecule Type:
Small molecule
Molecular Formula:
C17H12ClF3N2O
Molecular Weight:
352.74
AlogP:
4.09
PSA:
32.67
HBD:
0.0
HBA:
#RotB:
2.0
Source:
MAGNESIUM SULFATE ANHYDROUS
(1981)
Small molecule
Unknown
Unknown
Approved
Unknown
MAGNESIUM SULFATE ANHYDROUS
×
Maximum Phase:
4
First Approval:
1981
UNII:
ML30MJ2U7I
Molecule Type:
Small molecule
Molecular Formula:
MgO4S
Molecular Weight:
120.37
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
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Compound Name
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Compound Properties
Molecular Formula
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ALogP
PSA