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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
BISACODYL
(2004)
Small molecule
Unknown
Unknown
Approved
Constipation
BISACODYL
×
Maximum Phase:
4
First Approval:
2004
UNII:
10X0709Y6I
Molecule Type:
Small molecule
Molecular Formula:
C22H19NO4
Molecular Weight:
361.4
AlogP:
4.11
PSA:
65.49
HBD:
0.0
HBA:
#RotB:
5.0
Source:
DARIFENACIN
(2004)
Small molecule
Unknown
Unknown
Approved
Polyuria; Urinary Incontinence
DARIFENACIN
×
Maximum Phase:
4
First Approval:
2004
UNII:
APG9819VLM
Molecule Type:
Small molecule
Molecular Formula:
C28H30N2O2
Molecular Weight:
426.56
AlogP:
3.96
PSA:
55.56
HBD:
1.0
HBA:
#RotB:
7.0
Source:
PEMETREXED
(2004)
Small molecule
Unknown
INJECTION; INTRAVENOUS; IV (INFUSION)
Approved
Mesothelioma; Neoplasms
PEMETREXED
×
Maximum Phase:
4
First Approval:
2004
UNII:
04Q9AIZ7NO
Molecule Type:
Small molecule
Molecular Formula:
C20H21N5O6
Molecular Weight:
427.42
AlogP:
0.67
PSA:
191.26
HBD:
6.0
HBA:
#RotB:
9.0
Source:
ACAMPROSATE CALCIUM
(2004)
Small molecule
GABA-A receptor; anion channel positive modulator
ORAL
Approved
Alcoholism
ACAMPROSATE CALCIUM
×
Maximum Phase:
4
First Approval:
2004
UNII:
59375N1D0U
Molecule Type:
Small molecule
Molecular Formula:
C10H20CaN2O8S2
Molecular Weight:
400.49
AlogP:
-0.6
PSA:
83.47
HBD:
2.0
HBA:
#RotB:
4.0
Source:
METHYL AMINOLEVULINATE HYDROCHLORIDE
(2004)
Small molecule
DNA inhibitor
TOPICAL
Approved
Glioma
METHYL AMINOLEVULINATE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2004
UNII:
7S73606O1A
Molecule Type:
Small molecule
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.62
AlogP:
-0.53
PSA:
69.39
HBD:
1.0
HBA:
#RotB:
4.0
Source:
PENTETATE ZINC TRISODIUM
(2004)
Small molecule
Radioactive metals chelating agent
INHALATION; INTRAVENOUS
Approved
Unknown
PENTETATE ZINC TRISODIUM
×
Maximum Phase:
4
First Approval:
2004
UNII:
NXU65IC8PG
Molecule Type:
Small molecule
Molecular Formula:
C14H18N3Na3O10Zn
Molecular Weight:
522.67
AlogP:
-2.68
PSA:
196.22
HBD:
5.0
HBA:
#RotB:
16.0
Source:
ERLOTINIB HYDROCHLORIDE
(2004)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
ORAL
Approved
Carcinoma, Non-Small-Cell Lung
ERLOTINIB HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2004
UNII:
DA87705X9K
Molecule Type:
Small molecule
Molecular Formula:
C22H24ClN3O4
Molecular Weight:
429.9
AlogP:
3.41
PSA:
74.73
HBD:
1.0
HBA:
#RotB:
10.0
Source:
DULOXETINE
(2004)
Small molecule
Unknown
Unknown
Approved
Depressive Disorder
DULOXETINE
×
Maximum Phase:
4
First Approval:
2004
UNII:
O5TNM5N07U
Molecule Type:
Small molecule
Molecular Formula:
C18H19NOS
Molecular Weight:
297.42
AlogP:
4.63
PSA:
21.26
HBD:
1.0
HBA:
#RotB:
6.0
Source:
SOLIFENACIN
(2004)
Small molecule
Unknown
Unknown
Approved
Polyuria; Urinary Incontinence
SOLIFENACIN
×
Maximum Phase:
4
First Approval:
2004
UNII:
A8910SQJ1U
Molecule Type:
Small molecule
Molecular Formula:
C23H26N2O2
Molecular Weight:
362.47
AlogP:
3.86
PSA:
32.78
HBD:
0.0
HBA:
#RotB:
2.0
Source:
APOMORPHINE
(2004)
Small molecule
Unknown
Unknown
Approved
Erectile Dysfunction; Parkinson Disease
APOMORPHINE
×
Maximum Phase:
4
First Approval:
2004
UNII:
N21FAR7B4S
Molecule Type:
Small molecule
Molecular Formula:
C17H17NO2
Molecular Weight:
267.33
AlogP:
2.85
PSA:
43.7
HBD:
2.0
HBA:
#RotB:
0.0
Source:
MYCOPHENOLIC ACID
(2004)
Small molecule
Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor
ORAL
Approved
Immune System Diseases
MYCOPHENOLIC ACID
×
Maximum Phase:
4
First Approval:
2004
UNII:
HU9DX48N0T
Molecule Type:
Small molecule
Molecular Formula:
C17H20O6
Molecular Weight:
320.34
AlogP:
2.73
PSA:
93.06
HBD:
2.0
HBA:
#RotB:
6.0
Source:
TROSPIUM CHLORIDE
(2004)
Small molecule
Muscarinic acetylcholine receptor M2 antagonist
ORAL
Approved
Urinary Bladder, Overactive; Urinary Incontinence, Urge
TROSPIUM CHLORIDE
×
Maximum Phase:
4
First Approval:
2004
UNII:
1E6682427E
Molecule Type:
Small molecule
Molecular Formula:
C25H30ClNO3
Molecular Weight:
427.97
AlogP:
3.77
PSA:
46.53
HBD:
1.0
HBA:
#RotB:
4.0
Source:
TELITHROMYCIN
(2004)
Small molecule
Bacterial 70S ribosome inhibitor
ORAL
Approved
Bacterial Infections; Infections; Pneumonia
TELITHROMYCIN
×
Maximum Phase:
4
First Approval:
2004
UNII:
KI8H7H19WL
Molecule Type:
Small molecule
Molecular Formula:
C43H65N5O10
Molecular Weight:
812.02
AlogP:
4.93
PSA:
171.85
HBD:
1.0
HBA:
#RotB:
11.0
Source:
CINACALCET
(2004)
Small molecule
Unknown
Unknown
Approved
Parathyroid Diseases
CINACALCET
×
Maximum Phase:
4
First Approval:
2004
UNII:
UAZ6V7728S
Molecule Type:
Small molecule
Molecular Formula:
C22H22F3N
Molecular Weight:
357.42
AlogP:
6.14
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
6.0
Source:
GLUTAMINE
(2004)
Small molecule
Unknown
Unknown
Approved
Anemia, Sickle Cell; Short Bowel Syndrome
GLUTAMINE
×
Maximum Phase:
4
First Approval:
2004
UNII:
0RH81L854J
Molecule Type:
Small molecule
Molecular Formula:
C5H10N2O3
Molecular Weight:
146.15
AlogP:
-1.34
PSA:
106.41
HBD:
3.0
HBA:
#RotB:
4.0
Source:
OMEGA-3-ACID ETHYL ESTERS
(2004)
Small molecule
Unknown
ORAL
Approved
Cardiovascular Diseases; Diabetes Mellitus; Diabetes Mellitus, Type 2; Hypothyroidism
OMEGA-3-ACID ETHYL ESTERS
×
Maximum Phase:
4
First Approval:
2004
UNII:
D87YGH4Z0Q
Molecule Type:
Small molecule
Molecular Formula:
C46H70O4
Molecular Weight:
687.06
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
LANTHANUM CARBONATE
(2004)
Small molecule
Phosphate sequestering agent
Unknown
Approved
Unknown
LANTHANUM CARBONATE
×
Maximum Phase:
4
First Approval:
2004
UNII:
490D9F069T
Molecule Type:
Small molecule
Molecular Formula:
C3La2O9
Molecular Weight:
457.84
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
GADOBENATE DIMEGLUMINE
(2004)
Small molecule
Diagnostic agent
INTRAVENOUS
Approved
Unknown
GADOBENATE DIMEGLUMINE
×
Maximum Phase:
4
First Approval:
2004
UNII:
3Q6PPC19PO
Molecule Type:
Small molecule
Molecular Formula:
C29H45GdN4O16
Molecular Weight:
862.94
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
TINIDAZOLE
(2004)
Small molecule
DNA inhibitor
ORAL
Approved
Amebiasis; Bacterial Infections; Trichomonas Infections; Vaginal Diseases; Vaginosis, Bacterial
TINIDAZOLE
×
Maximum Phase:
4
First Approval:
2004
UNII:
033KF7V46H
Molecule Type:
Small molecule
Molecular Formula:
C8H13N3O4S
Molecular Weight:
247.28
AlogP:
0.53
PSA:
95.1
HBD:
0.0
HBA:
#RotB:
5.0
Source:
ACAMPROSATE
(2004)
Small molecule
Unknown
Unknown
Approved
Alcoholism
ACAMPROSATE
×
Maximum Phase:
4
First Approval:
2004
UNII:
N4K14YGM3J
Molecule Type:
Small molecule
Molecular Formula:
C5H11NO4S
Molecular Weight:
181.21
AlogP:
-0.6
PSA:
83.47
HBD:
2.0
HBA:
#RotB:
4.0
Source:
SYNTHETIC CONJUGATED ESTROGENS, B
(2004)
Small molecule
Estrogen receptor agonist
Unknown
Approved
Unknown
SYNTHETIC CONJUGATED ESTROGENS, B
×
Maximum Phase:
4
First Approval:
2004
UNII:
8L6LAK9BTR
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
ESZOPICLONE
(2004)
Small molecule
GABA-A receptor; anion channel positive allosteric modulator
ORAL
Approved
Sleep Initiation and Maintenance Disorders
ESZOPICLONE
×
Maximum Phase:
4
First Approval:
2004
UNII:
UZX80K71OE
Molecule Type:
Small molecule
Molecular Formula:
C17H17ClN6O3
Molecular Weight:
388.82
AlogP:
1.57
PSA:
91.76
HBD:
0.0
HBA:
#RotB:
2.0
Source:
PENTETIC ACID
(2004)
Small molecule
Unknown
Unknown
Approved
Unknown
PENTETIC ACID
×
Maximum Phase:
4
First Approval:
2004
UNII:
7A314HQM0I
Molecule Type:
Small molecule
Molecular Formula:
C14H23N3O10
Molecular Weight:
393.35
AlogP:
-2.68
PSA:
196.22
HBD:
5.0
HBA:
#RotB:
16.0
Source:
CINACALCET HYDROCHLORIDE
(2004)
Small molecule
Calcium sensing receptor positive allosteric modulator
ORAL
Approved
Carcinoma; Hyperparathyroidism, Secondary; Parathyroid Neoplasms; Renal Insufficiency, Chronic
CINACALCET HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2004
UNII:
1K860WSG25
Molecule Type:
Small molecule
Molecular Formula:
C22H23ClF3N
Molecular Weight:
393.88
AlogP:
6.14
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
6.0
Source:
DULOXETINE HYDROCHLORIDE
(2004)
Small molecule
Norepinephrine transporter inhibitor
ORAL
Approved
Anxiety Disorders; Chronic Pain; Depressive Disorder, Major; Fibromyalgia; Musculoskeletal Pain; Neuralgia
DULOXETINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2004
UNII:
9044SC542W
Molecule Type:
Small molecule
Molecular Formula:
C18H20ClNOS
Molecular Weight:
333.88
AlogP:
4.63
PSA:
21.26
HBD:
1.0
HBA:
#RotB:
6.0
Source:
ERLOTINIB
(2004)
Small molecule
Unknown
Unknown
Approved
Neoplasms
ERLOTINIB
×
Maximum Phase:
4
First Approval:
2004
UNII:
J4T82NDH7E
Molecule Type:
Small molecule
Molecular Formula:
C22H23N3O4
Molecular Weight:
393.44
AlogP:
3.41
PSA:
74.73
HBD:
1.0
HBA:
#RotB:
10.0
Source:
ILOPROST
(2004)
Small molecule
Prostanoid IP receptor agonist
INHALATION
Approved
Hypertension, Pulmonary; Pulmonary Arterial Hypertension; Thrombosis
ILOPROST
×
Maximum Phase:
4
First Approval:
2004
UNII:
JED5K35YGL
Molecule Type:
Small molecule
Molecular Formula:
C22H32O4
Molecular Weight:
360.49
AlogP:
3.54
PSA:
77.76
HBD:
3.0
HBA:
#RotB:
8.0
Source:
AZACITIDINE
(2004)
Small molecule
DNA (cytosine-5)-methyltransferase 1 inhibitor
INTRAVENOUS; SUBCUTANEOUS
Approved
Anemia; Anemia, Refractory, with Excess of Blasts; Leukemia, Myelomonocytic, Chronic; Myelodysplastic Syndromes; Neoplasms; Thrombocytopenia
AZACITIDINE
×
Maximum Phase:
4
First Approval:
2004
UNII:
M801H13NRU
Molecule Type:
Small molecule
Molecular Formula:
C8H12N4O5
Molecular Weight:
244.21
AlogP:
-3.17
PSA:
143.72
HBD:
4.0
HBA:
#RotB:
2.0
Source:
SOLIFENACIN SUCCINATE
(2004)
Small molecule
Muscarinic acetylcholine receptor M2 antagonist
Unknown
Approved
Urinary Bladder, Overactive; Urinary Incontinence, Urge
SOLIFENACIN SUCCINATE
×
Maximum Phase:
4
First Approval:
2004
UNII:
KKA5DLD701
Molecule Type:
Small molecule
Molecular Formula:
C27H32N2O6
Molecular Weight:
480.56
AlogP:
3.86
PSA:
32.78
HBD:
0.0
HBA:
#RotB:
2.0
Source:
TIOTROPIUM BROMIDE
(2004)
Small molecule
Muscarinic acetylcholine receptor M3 antagonist
INHALATION
Approved
Asthma; Bronchial Spasm; Bronchitis, Chronic; Emphysema; Lung Diseases, Obstructive; Pulmonary Disease, Chronic Obstructive
TIOTROPIUM BROMIDE
×
Maximum Phase:
4
First Approval:
2004
UNII:
L64SXO195N
Molecule Type:
Small molecule
Molecular Formula:
C19H24BrNO5S2
Molecular Weight:
490.44
AlogP:
2.35
PSA:
59.06
HBD:
1.0
HBA:
#RotB:
4.0
Source:
PENTETATE CALCIUM TRISODIUM
(2004)
Small molecule
Radioactive metals chelating agent
INHALATION; INTRAVENOUS
Approved
Pulmonary Embolism
PENTETATE CALCIUM TRISODIUM
×
Maximum Phase:
4
First Approval:
2004
UNII:
G79YN26H5B
Molecule Type:
Small molecule
Molecular Formula:
C14H18CaN3Na3O10
Molecular Weight:
497.36
AlogP:
-2.68
PSA:
196.22
HBD:
5.0
HBA:
#RotB:
16.0
Source:
SORAFENIB TOSYLATE
(2005)
Small molecule
Platelet-derived growth factor receptor beta inhibitor
ORAL
Approved
Carcinoma, Renal Cell; Thyroid Neoplasms
SORAFENIB TOSYLATE
×
Maximum Phase:
4
First Approval:
2005
UNII:
5T62Q3B36J
Molecule Type:
Small molecule
Molecular Formula:
C28H24ClF3N4O6S
Molecular Weight:
637.04
AlogP:
5.55
PSA:
92.35
HBD:
3.0
HBA:
#RotB:
5.0
Source:
TIGECYCLINE
(2005)
Small molecule
Bacterial 70S ribosome inhibitor
INTRAVENOUS
Approved
Bacterial Infections; Infections; Intraabdominal Infections
TIGECYCLINE
×
Maximum Phase:
4
First Approval:
2005
UNII:
70JE2N95KR
Molecule Type:
Small molecule
Molecular Formula:
C29H39N5O8
Molecular Weight:
585.66
AlogP:
0.51
PSA:
205.76
HBD:
7.0
HBA:
#RotB:
6.0
Source:
QUININE
(2005)
Small molecule
Unknown
Unknown
Approved
Malaria
QUININE
×
Maximum Phase:
4
First Approval:
2005
UNII:
A7V27PHC7A
Molecule Type:
Small molecule
Molecular Formula:
C20H24N2O2
Molecular Weight:
324.42
AlogP:
3.17
PSA:
45.59
HBD:
1.0
HBA:
#RotB:
4.0
Source:
QUININE SULFATE
(2005)
Small molecule
Ferriprotoporphyrin IX inhibitor
ORAL
Approved
Malaria, Falciparum; Muscle Cramp
QUININE SULFATE
×
Maximum Phase:
4
First Approval:
2005
UNII:
KF7Z0E0Q2B
Molecule Type:
Small molecule
Molecular Formula:
C40H54N4O10S
Molecular Weight:
782.96
AlogP:
3.17
PSA:
45.59
HBD:
1.0
HBA:
#RotB:
4.0
Source:
NELARABINE
(2005)
Small molecule
DNA inhibitor
INTRAVENOUS
Approved
Leukemia-Lymphoma, Adult T-Cell; Neoplasms
NELARABINE
×
Maximum Phase:
4
First Approval:
2005
UNII:
60158CV180
Molecule Type:
Small molecule
Molecular Formula:
C11H15N5O5
Molecular Weight:
297.27
AlogP:
-1.97
PSA:
148.77
HBD:
4.0
HBA:
#RotB:
3.0
Source:
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Molecular Formula
Molecular Weight
ALogP
PSA