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Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
METHANTHELINE BROMIDE
(1951)
Small molecule
Histamine H2 receptor antagonist
ORAL
Approved
Unknown
METHANTHELINE BROMIDE
×
Maximum Phase:
4
First Approval:
1951
UNII:
090519SAPF
Molecule Type:
Small molecule
Molecular Formula:
C21H26BrNO3
Molecular Weight:
420.35
AlogP:
3.95
PSA:
35.53
HBD:
0.0
HBA:
#RotB:
6.0
Source:
DISULFIRAM
(1951)
Small molecule
Aldehyde dehydrogenase inhibitor
ORAL
Approved
Alcoholism; Ectoparasitic Infestations
DISULFIRAM
×
Maximum Phase:
4
First Approval:
1951
UNII:
TR3MLJ1UAI
Molecule Type:
Small molecule
Molecular Formula:
C10H20N2S4
Molecular Weight:
296.55
AlogP:
3.62
PSA:
6.48
HBD:
0.0
HBA:
#RotB:
4.0
Source:
EDROPHONIUM
(1951)
Small molecule
Unknown
Unknown
Approved
Unknown
EDROPHONIUM
×
Maximum Phase:
4
First Approval:
1951
UNII:
70FP3JLY7N
Molecule Type:
Small molecule
Molecular Formula:
C10H16NO+
Molecular Weight:
166.24
AlogP:
1.98
PSA:
20.23
HBD:
1.0
HBA:
#RotB:
2.0
Source:
PROBENECID
(1951)
Small molecule
Solute carrier family 22 member 11 inhibitor
ORAL
Approved
Gout
PROBENECID
×
Maximum Phase:
4
First Approval:
1951
UNII:
PO572Z7917
Molecule Type:
Small molecule
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.36
AlogP:
2.2
PSA:
74.68
HBD:
1.0
HBA:
#RotB:
7.0
Source:
LEUCOVORIN
(1952)
Small molecule
Unknown
Unknown
Approved
Unknown
LEUCOVORIN
×
Maximum Phase:
4
First Approval:
1952
UNII:
Q573I9DVLP
Molecule Type:
Small molecule
Molecular Formula:
C20H23N7O7
Molecular Weight:
473.45
AlogP:
-0.73
PSA:
219.84
HBD:
7.0
HBA:
#RotB:
10.0
Source:
LEUCOVORIN CALCIUM
(1952)
Small molecule
Unknown
INJECTION; ORAL
Approved
Unknown
LEUCOVORIN CALCIUM
×
Maximum Phase:
4
First Approval:
1952
UNII:
RPR1R4C0P4
Molecule Type:
Small molecule
Molecular Formula:
C20H21CaN7O7
Molecular Weight:
511.51
AlogP:
-0.73
PSA:
219.84
HBD:
7.0
HBA:
#RotB:
10.0
Source:
PRIMAQUINE PHOSPHATE
(1952)
Small molecule
Unknown
ORAL
Approved
Unknown
PRIMAQUINE PHOSPHATE
×
Maximum Phase:
4
First Approval:
1952
UNII:
H0982HF78B
Molecule Type:
Small molecule
Molecular Formula:
C15H27N3O9P2
Molecular Weight:
455.34
AlogP:
2.78
PSA:
60.17
HBD:
2.0
HBA:
#RotB:
6.0
Source:
HYDROCORTISONE
(1952)
Small molecule
Glucocorticoid receptor agonist
FOR RX COMPOUNDING; INJECTION; ORAL; RECTAL; TOPICAL; VAGINAL
Approved
Asthma; Colitis, Ulcerative; Crohn Disease; Dermatitis, Atopic; Eye Diseases; Hemorrhoids; Herpes Labialis; Inflammation; Nasal Obstruction; Osteoarthritis; Otitis Externa; Pneumonia
HYDROCORTISONE
×
Maximum Phase:
4
First Approval:
1952
UNII:
WI4X0X7BPJ
Molecule Type:
Small molecule
Molecular Formula:
C21H30O5
Molecular Weight:
362.47
AlogP:
1.78
PSA:
94.83
HBD:
3.0
HBA:
#RotB:
2.0
Source:
PHENTOLAMINE MESYLATE
(1952)
Small molecule
Adrenergic receptor alpha antagonist
Unknown
Approved
Pheochromocytoma
PHENTOLAMINE MESYLATE
×
Maximum Phase:
4
First Approval:
1952
UNII:
Y7543E5K9T
Molecule Type:
Small molecule
Molecular Formula:
C18H23N3O4S
Molecular Weight:
377.47
AlogP:
2.84
PSA:
47.86
HBD:
2.0
HBA:
#RotB:
4.0
Source:
PHENYLEPHRINE HYDROCHLORIDE
(1952)
Small molecule
Adrenergic receptor alpha-1 agonist
INTRAVENOUS; OPHTHALMIC
Approved
Common Cold; Hemorrhoids; Hypersensitivity; Hypotension; Nasal Obstruction; Pruritus; Rhinitis, Allergic, Seasonal; Shock, Septic; Sinusitis
PHENYLEPHRINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1952
UNII:
04JA59TNSJ
Molecule Type:
Small molecule
Molecular Formula:
C9H14ClNO2
Molecular Weight:
203.67
AlogP:
0.65
PSA:
52.49
HBD:
3.0
HBA:
#RotB:
3.0
Source:
ISONIAZID
(1952)
Small molecule
Enoyl-[acyl-carrier-protein] reductase inhibitor
INJECTION; ORAL
Approved
HIV Infections; Silicosis; Tuberculosis; Tuberculosis, Pulmonary
ISONIAZID
×
Maximum Phase:
4
First Approval:
1952
UNII:
V83O1VOZ8L
Molecule Type:
Small molecule
Molecular Formula:
C6H7N3O
Molecular Weight:
137.14
AlogP:
-0.31
PSA:
68.01
HBD:
2.0
HBA:
#RotB:
1.0
Source:
SUXAMETHONIUM
(1952)
Small molecule
Unknown
Unknown
Approved
Unknown
SUXAMETHONIUM
×
Maximum Phase:
4
First Approval:
1952
UNII:
J2R869A8YF
Molecule Type:
Small molecule
Molecular Formula:
C14H30N2O4+2
Molecular Weight:
290.4
AlogP:
0.27
PSA:
52.6
HBD:
0.0
HBA:
#RotB:
9.0
Source:
PHENYLEPHRINE
(1952)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases; Eye Manifestations; Nasal Obstruction
PHENYLEPHRINE
×
Maximum Phase:
4
First Approval:
1952
UNII:
1WS297W6MV
Molecule Type:
Small molecule
Molecular Formula:
C9H13NO2
Molecular Weight:
167.21
AlogP:
0.65
PSA:
52.49
HBD:
3.0
HBA:
#RotB:
3.0
Source:
MONOBENZONE
(1952)
Small molecule
Tyrosinase inhibitor
TOPICAL
Approved
Unknown
MONOBENZONE
×
Maximum Phase:
4
First Approval:
1952
UNII:
9L2KA76MG5
Molecule Type:
Small molecule
Molecular Formula:
C13H12O2
Molecular Weight:
200.24
AlogP:
2.97
PSA:
29.46
HBD:
1.0
HBA:
#RotB:
3.0
Source:
PRIMAQUINE
(1952)
Small molecule
Unknown
Unknown
Approved
Malaria
PRIMAQUINE
×
Maximum Phase:
4
First Approval:
1952
UNII:
MVR3634GX1
Molecule Type:
Small molecule
Molecular Formula:
C15H21N3O
Molecular Weight:
259.35
AlogP:
2.78
PSA:
60.17
HBD:
2.0
HBA:
#RotB:
6.0
Source:
CODEINE
(1952)
Small molecule
Unknown
Unknown
Approved
Cough; Pain
CODEINE
×
Maximum Phase:
4
First Approval:
1952
UNII:
Q830PW7520
Molecule Type:
Small molecule
Molecular Formula:
C18H21NO3
Molecular Weight:
299.37
AlogP:
1.5
PSA:
41.93
HBD:
1.0
HBA:
#RotB:
1.0
Source:
PHENTOLAMINE
(1952)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases
PHENTOLAMINE
×
Maximum Phase:
4
First Approval:
1952
UNII:
Z468598HBV
Molecule Type:
Small molecule
Molecular Formula:
C17H19N3O
Molecular Weight:
281.36
AlogP:
2.84
PSA:
47.86
HBD:
2.0
HBA:
#RotB:
4.0
Source:
CODEINE PHOSPHATE
(1952)
Small molecule
Opioid receptors; mu/kappa/delta agonist
Unknown
Approved
Migraine Disorders; Pain; Spasm; Substance-Related Disorders
CODEINE PHOSPHATE
×
Maximum Phase:
4
First Approval:
1952
UNII:
GSL05Y1MN6
Molecule Type:
Small molecule
Molecular Formula:
C18H26NO8P
Molecular Weight:
415.38
AlogP:
1.5
PSA:
41.93
HBD:
1.0
HBA:
#RotB:
1.0
Source:
PENICILLIN G BENZATHINE
(1952)
Small molecule
Bacterial penicillin-binding protein inhibitor
INJECTION; ORAL
Approved
Bacterial Infections
PENICILLIN G BENZATHINE
×
Maximum Phase:
4
First Approval:
1952
UNII:
RIT82F58GK
Molecule Type:
Small molecule
Molecular Formula:
C48H64N6O12S2
Molecular Weight:
981.2
AlogP:
0.86
PSA:
86.71
HBD:
2.0
HBA:
#RotB:
4.0
Source:
SUCCINYLCHOLINE CHLORIDE
(1952)
Small molecule
Muscle-type nicotinic acetylcholine receptor agonist
INJECTION
Approved
Unknown
SUCCINYLCHOLINE CHLORIDE
×
Maximum Phase:
4
First Approval:
1952
UNII:
I9L0DDD30I
Molecule Type:
Small molecule
Molecular Formula:
C14H30Cl2N2O4
Molecular Weight:
361.31
AlogP:
0.27
PSA:
52.6
HBD:
0.0
HBA:
#RotB:
9.0
Source:
SULFAMETHIZOLE
(1953)
Small molecule
Bacterial dihydropteroate synthase inhibitor
ORAL
Approved
Bacterial Infections; Eye Infections
SULFAMETHIZOLE
×
Maximum Phase:
4
First Approval:
1953
UNII:
25W8454H16
Molecule Type:
Small molecule
Molecular Formula:
C9H10N4O2S2
Molecular Weight:
270.34
AlogP:
1.23
PSA:
97.97
HBD:
2.0
HBA:
#RotB:
3.0
Source:
PHENYTOIN
(1953)
Small molecule
Sodium channel alpha subunit blocker
ORAL
Approved
Epilepsy; Seizures
PHENYTOIN
×
Maximum Phase:
4
First Approval:
1953
UNII:
6158TKW0C5
Molecule Type:
Small molecule
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.27
AlogP:
1.97
PSA:
61.69
HBD:
2.0
HBA:
#RotB:
2.0
Source:
HYDRALAZINE
(1953)
Small molecule
Unknown
Unknown
Approved
Hypertension
HYDRALAZINE
×
Maximum Phase:
4
First Approval:
1953
UNII:
26NAK24LS8
Molecule Type:
Small molecule
Molecular Formula:
C8H8N4
Molecular Weight:
160.18
AlogP:
0.92
PSA:
63.83
HBD:
2.0
HBA:
#RotB:
1.0
Source:
METHSCOPOLAMINE BROMIDE
(1953)
Small molecule
Muscarinic acetylcholine receptor M1 antagonist
ORAL
Approved
Unknown
METHSCOPOLAMINE BROMIDE
×
Maximum Phase:
4
First Approval:
1953
UNII:
RTN51LK7WL
Molecule Type:
Small molecule
Molecular Formula:
C18H24BrNO4
Molecular Weight:
398.3
AlogP:
1.06
PSA:
59.06
HBD:
1.0
HBA:
#RotB:
4.0
Source:
METHOTREXATE
(1953)
Small molecule
Dihydrofolate reductase inhibitor
SUBCUTANEOUS
Approved
Adenoma; Arthritis; Arthritis, Juvenile; Arthritis, Rheumatoid; Breast Neoplasms; Choriocarcinoma; Communicable Diseases; Immune System Diseases; Lung Neoplasms; Lymphoma, Non-Hodgkin; Meningeal Carcinomatosis; Mycosis Fungoides; Neoplasms; Precursor Cell Lymphoblastic Leukemia-Lymphoma; Psoriasis
METHOTREXATE
×
Maximum Phase:
4
First Approval:
1953
UNII:
YL5FZ2Y5U1
Molecule Type:
Small molecule
Molecular Formula:
C20H22N8O5
Molecular Weight:
454.45
AlogP:
0.27
PSA:
210.54
HBD:
5.0
HBA:
#RotB:
9.0
Source:
METHOTREXATE SODIUM
(1953)
Small molecule
Dihydrofolate reductase inhibitor
INJECTION; ORAL
Approved
Unknown
METHOTREXATE SODIUM
×
Maximum Phase:
4
First Approval:
1953
UNII:
3IG1E710ZN
Molecule Type:
Small molecule
Molecular Formula:
C20H20N8Na2O5
Molecular Weight:
498.41
AlogP:
0.27
PSA:
210.54
HBD:
5.0
HBA:
#RotB:
9.0
Source:
PYRIMETHAMINE
(1953)
Small molecule
Dihydrofolate reductase inhibitor
ORAL
Approved
Malaria; Toxoplasmosis
PYRIMETHAMINE
×
Maximum Phase:
4
First Approval:
1953
UNII:
Z3614QOX8W
Molecule Type:
Small molecule
Molecular Formula:
C12H13ClN4
Molecular Weight:
248.72
AlogP:
2.52
PSA:
77.82
HBD:
2.0
HBA:
#RotB:
2.0
Source:
NITROFURANTOIN
(1953)
Small molecule
DNA inhibitor
ORAL
Approved
Bacterial Infections; Cystitis; Urinary Tract Infections
NITROFURANTOIN
×
Maximum Phase:
4
First Approval:
1953
UNII:
927AH8112L
Molecule Type:
Small molecule
Molecular Formula:
C8H6N4O5
Molecular Weight:
238.16
AlogP:
0.07
PSA:
118.05
HBD:
1.0
HBA:
#RotB:
3.0
Source:
ACETAZOLAMIDE
(1953)
Small molecule
Carbonic anhydrase I inhibitor
ORAL
Approved
Altitude Sickness; Edema; Epilepsy; Glaucoma; Glaucoma, Angle-Closure; Heart Failure; Seizures
ACETAZOLAMIDE
×
Maximum Phase:
4
First Approval:
1953
UNII:
O3FX965V0I
Molecule Type:
Small molecule
Molecular Formula:
C4H6N4O3S2
Molecular Weight:
222.25
AlogP:
-0.86
PSA:
115.04
HBD:
2.0
HBA:
#RotB:
2.0
Source:
PROPARACAINE HYDROCHLORIDE
(1953)
Small molecule
Sodium channel alpha subunit blocker
OPHTHALMIC
Approved
Unknown
PROPARACAINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1953
UNII:
U96OL57GOY
Molecule Type:
Small molecule
Molecular Formula:
C16H27ClN2O3
Molecular Weight:
330.86
AlogP:
2.56
PSA:
64.79
HBD:
1.0
HBA:
#RotB:
9.0
Source:
HYDROXYSTILBAMIDINE ISETHIONATE
(1953)
Small molecule
DNA inhibitor
INJECTION
Approved
Unknown
HYDROXYSTILBAMIDINE ISETHIONATE
×
Maximum Phase:
4
First Approval:
1953
UNII:
0163PVD2QZ
Molecule Type:
Small molecule
Molecular Formula:
C20H28N4O9S2
Molecular Weight:
532.6
AlogP:
2.13
PSA:
119.97
HBD:
5.0
HBA:
#RotB:
4.0
Source:
EDETATE CALCIUM DISODIUM
(1953)
Small molecule
Unknown
INJECTION; ORAL
Approved
Lead Poisoning
EDETATE CALCIUM DISODIUM
×
Maximum Phase:
4
First Approval:
1953
UNII:
25IH6R4SGF
Molecule Type:
Small molecule
Molecular Formula:
C10H14CaN2Na2O9
Molecular Weight:
392.29
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
HYDROXYSTILBAMIDINE
(1953)
Small molecule
Unknown
Unknown
Approved
Unknown
HYDROXYSTILBAMIDINE
×
Maximum Phase:
4
First Approval:
1953
UNII:
39J262E49W
Molecule Type:
Small molecule
Molecular Formula:
C16H16N4O
Molecular Weight:
280.33
AlogP:
2.13
PSA:
119.97
HBD:
5.0
HBA:
#RotB:
4.0
Source:
HYDRALAZINE HYDROCHLORIDE
(1953)
Small molecule
Unknown
INJECTION; ORAL
Approved
Hypertension
HYDRALAZINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1953
UNII:
FD171B778Y
Molecule Type:
Small molecule
Molecular Formula:
C8H9ClN4
Molecular Weight:
196.64
AlogP:
0.92
PSA:
63.83
HBD:
2.0
HBA:
#RotB:
1.0
Source:
TETRACYCLINE HYDROCHLORIDE
(1953)
Small molecule
Bacterial 70S ribosome inhibitor
INJECTION; OPHTHALMIC; ORAL; PERIODONTAL; TOPICAL
Approved
Burns; Duodenal Ulcer; Eczema; Fever; Infections; Psittacosis; Tularemia
TETRACYCLINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1953
UNII:
P6R62377KV
Molecule Type:
Small molecule
Molecular Formula:
C22H25ClN2O8
Molecular Weight:
480.9
AlogP:
-0.21
PSA:
181.62
HBD:
6.0
HBA:
#RotB:
2.0
Source:
MERCAPTOPURINE
(1953)
Small molecule
Amidophosphoribosyltransferase inhibitor
ORAL
Approved
Neoplasms; Precursor Cell Lymphoblastic Leukemia-Lymphoma
MERCAPTOPURINE
×
Maximum Phase:
4
First Approval:
1953
UNII:
E7WED276I5
Molecule Type:
Small molecule
Molecular Formula:
C5H6N4OS
Molecular Weight:
170.2
AlogP:
0.64
PSA:
54.46
HBD:
2.0
HBA:
#RotB:
0.0
Source:
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Compound Name
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Compound Structure
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Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA