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Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7971
SULFAPYRIDINE
(1939)
Small molecule
Bacterial dihydropteroate synthase inhibitor
ORAL
Approved
Bacterial Infections
SULFAPYRIDINE
×
Maximum Phase:
4
First Approval:
1939
UNII:
Y5V2N1KE8U
Molecule Type:
Small molecule
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.3
AlogP:
1.46
PSA:
85.08
HBD:
2.0
HBA:
#RotB:
3.0
Source:
DESOXYCORTICOSTERONE ACETATE
(1939)
Small molecule
Mineralocorticoid receptor agonist
IMPLANTATION; INJECTION
Approved
Unknown
DESOXYCORTICOSTERONE ACETATE
×
Maximum Phase:
4
First Approval:
1939
UNII:
6E0A168OB8
Molecule Type:
Small molecule
Molecular Formula:
C23H32O4
Molecular Weight:
372.51
AlogP:
4.27
PSA:
60.44
HBD:
0.0
HBA:
#RotB:
3.0
Source:
HISTAMINE
(1939)
Small molecule
Unknown
Unknown
Approved
Unknown
HISTAMINE
×
Maximum Phase:
4
First Approval:
1939
UNII:
820484N8I3
Molecule Type:
Small molecule
Molecular Formula:
C5H9N3
Molecular Weight:
111.15
AlogP:
-0.09
PSA:
54.7
HBD:
2.0
HBA:
#RotB:
2.0
Source:
HISTAMINE PHOSPHATE
(1939)
Small molecule
Histamine H1 receptor agonist
INJECTION
Approved
Unknown
HISTAMINE PHOSPHATE
×
Maximum Phase:
4
First Approval:
1939
UNII:
QWB37T4WZZ
Molecule Type:
Small molecule
Molecular Formula:
C5H15N3O8P2
Molecular Weight:
307.14
AlogP:
-0.09
PSA:
54.7
HBD:
2.0
HBA:
#RotB:
2.0
Source:
BUTABARBITAL SODIUM
(1939)
Small molecule
GABA-A receptor; anion channel positive allosteric modulator
ORAL
Approved
Unknown
BUTABARBITAL SODIUM
×
Maximum Phase:
4
First Approval:
1939
UNII:
9WTD50I918
Molecule Type:
Small molecule
Molecular Formula:
C10H15N2NaO3
Molecular Weight:
234.23
AlogP:
0.79
PSA:
75.27
HBD:
2.0
HBA:
#RotB:
3.0
Source:
GUANIDINE HYDROCHLORIDE
(1939)
Small molecule
Voltage-gated potassium channel blocker
ORAL
Approved
Carcinoma, Small Cell; Lambert-Eaton Myasthenic Syndrome; Muscle Weakness
GUANIDINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1939
UNII:
3YQC9ZY4YB
Molecule Type:
Small molecule
Molecular Formula:
CH6ClN3
Molecular Weight:
95.53
AlogP:
-1.16
PSA:
75.89
HBD:
3.0
HBA:
#RotB:
0.0
Source:
GUANIDINE
(1939)
Small molecule
Unknown
Unknown
Approved
Unknown
GUANIDINE
×
Maximum Phase:
4
First Approval:
1939
UNII:
JU58VJ6Y3B
Molecule Type:
Small molecule
Molecular Formula:
CH5N3
Molecular Weight:
59.07
AlogP:
-1.16
PSA:
75.89
HBD:
3.0
HBA:
#RotB:
0.0
Source:
BUTABARBITAL
(1939)
Small molecule
Unknown
Unknown
Approved
Unknown
BUTABARBITAL
×
Maximum Phase:
4
First Approval:
1939
UNII:
P0078O25A9
Molecule Type:
Small molecule
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.25
AlogP:
0.79
PSA:
75.27
HBD:
2.0
HBA:
#RotB:
3.0
Source:
THEOPHYLLINE
(1940)
Small molecule
Adenosine receptor antagonist
INJECTION; ORAL
Approved
Asthma; Bronchitis, Chronic; Lung Diseases, Obstructive
THEOPHYLLINE
×
Maximum Phase:
4
First Approval:
1940
UNII:
0I55128JYK
Molecule Type:
Small molecule
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.17
AlogP:
-1.04
PSA:
72.68
HBD:
1.0
HBA:
#RotB:
0.0
Source:
AMINOPHYLLINE
(1940)
Small molecule
Adenosine receptor antagonist
INJECTION; ORAL; RECTAL
Approved
Asthma; Lung Diseases, Obstructive
AMINOPHYLLINE
×
Maximum Phase:
4
First Approval:
1940
UNII:
27Y3KJK423
Molecule Type:
Small molecule
Molecular Formula:
C16H24N10O4
Molecular Weight:
420.43
AlogP:
-1.04
PSA:
72.68
HBD:
1.0
HBA:
#RotB:
0.0
Source:
SULFADIAZINE
(1941)
Small molecule
Bacterial dihydropteroate synthase inhibitor
ORAL
Approved
Bacterial Infections
SULFADIAZINE
×
Maximum Phase:
4
First Approval:
1941
UNII:
0N7609K889
Molecule Type:
Small molecule
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.28
AlogP:
0.86
PSA:
97.97
HBD:
2.0
HBA:
#RotB:
3.0
Source:
ERGOCALCIFEROL
(1941)
Small molecule
Vitamin D receptor agonist
ORAL
Approved
Hypoparathyroidism; Hypophosphatemia, Familial; Rickets, Hypophosphatemic
ERGOCALCIFEROL
×
Maximum Phase:
4
First Approval:
1941
UNII:
VS041H42XC
Molecule Type:
Small molecule
Molecular Formula:
C28H44O
Molecular Weight:
396.66
AlogP:
7.64
PSA:
20.23
HBD:
1.0
HBA:
#RotB:
5.0
Source:
SULFADIAZINE SODIUM
(1941)
Small molecule
Bacterial dihydropteroate synthase inhibitor
INJECTION
Approved
Malaria
SULFADIAZINE SODIUM
×
Maximum Phase:
4
First Approval:
1941
UNII:
84CS1P306F
Molecule Type:
Small molecule
Molecular Formula:
C10H9N4NaO2S
Molecular Weight:
272.26
AlogP:
0.86
PSA:
97.97
HBD:
2.0
HBA:
#RotB:
3.0
Source:
ESTROGENS, CONJUGATED
(1942)
Small molecule
Estrogen receptor agonist
INJECTION; ORAL; TOPICAL; VAGINAL
Approved
Unknown
ESTROGENS, CONJUGATED
×
Maximum Phase:
4
First Approval:
1942
UNII:
IU5QR144QX
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
MEPERIDINE HYDROCHLORIDE
(1942)
Small molecule
Mu opioid receptor agonist
INJECTION; ORAL
Approved
Acute Pain; Pain; Substance-Related Disorders
MEPERIDINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1942
UNII:
N8E7F7Q170
Molecule Type:
Small molecule
Molecular Formula:
C15H22ClNO2
Molecular Weight:
283.8
AlogP:
2.21
PSA:
29.54
HBD:
0.0
HBA:
#RotB:
3.0
Source:
MEPERIDINE
(1942)
Small molecule
Unknown
Unknown
Approved
Pain
MEPERIDINE
×
Maximum Phase:
4
First Approval:
1942
UNII:
9E338QE28F
Molecule Type:
Small molecule
Molecular Formula:
C15H21NO2
Molecular Weight:
247.34
AlogP:
2.21
PSA:
29.54
HBD:
0.0
HBA:
#RotB:
3.0
Source:
METHAMPHETAMINE
(1943)
Small molecule
Unknown
Unknown
Approved
Attention Deficit Disorder with Hyperactivity
METHAMPHETAMINE
×
Maximum Phase:
4
First Approval:
1943
UNII:
44RAL3456C
Molecule Type:
Small molecule
Molecular Formula:
C10H15N
Molecular Weight:
149.24
AlogP:
1.84
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
3.0
Source:
HYDROCODONE BITARTRATE
(1943)
Small molecule
Opioid receptors; mu/kappa/delta agonist
ORAL
Approved
Acute Pain; Pain
HYDROCODONE BITARTRATE
×
Maximum Phase:
4
First Approval:
1943
UNII:
NO70W886KK
Molecule Type:
Small molecule
Molecular Formula:
C22H31NO11
Molecular Weight:
485.49
AlogP:
1.93
PSA:
38.77
HBD:
0.0
HBA:
#RotB:
1.0
Source:
METHYLHOMATROPINE
(1943)
Small molecule
Unknown
Unknown
Approved
Unknown
METHYLHOMATROPINE
×
Maximum Phase:
4
First Approval:
1943
UNII:
P97OGJ7L1L
Molecule Type:
Small molecule
Molecular Formula:
C17H24NO3+
Molecular Weight:
290.38
AlogP:
2.03
PSA:
46.53
HBD:
1.0
HBA:
#RotB:
3.0
Source:
METHAMPHETAMINE HYDROCHLORIDE
(1943)
Small molecule
Monoamine transporter inhibitor
ORAL
Approved
Attention Deficit Disorder with Hyperactivity
METHAMPHETAMINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
1943
UNII:
997F43Z9CV
Molecule Type:
Small molecule
Molecular Formula:
C10H16ClN
Molecular Weight:
185.7
AlogP:
1.84
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
3.0
Source:
HOMATROPINE METHYLBROMIDE
(1943)
Small molecule
Unknown
ORAL
Approved
Digestive System Diseases
HOMATROPINE METHYLBROMIDE
×
Maximum Phase:
4
First Approval:
1943
UNII:
68JRS2HC1C
Molecule Type:
Small molecule
Molecular Formula:
C17H24BrNO3
Molecular Weight:
370.29
AlogP:
2.03
PSA:
46.53
HBD:
1.0
HBA:
#RotB:
3.0
Source:
DICUMAROL
(1944)
Small molecule
Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor
ORAL
Approved
Thrombosis
DICUMAROL
×
Maximum Phase:
4
First Approval:
1944
UNII:
7QID3E7BG7
Molecule Type:
Small molecule
Molecular Formula:
C19H12O6
Molecular Weight:
336.3
AlogP:
2.9
PSA:
100.88
HBD:
2.0
HBA:
#RotB:
2.0
Source:
SULFACETAMIDE
(1945)
Small molecule
Bacterial dihydropteroate synthase inhibitor
Unknown
Approved
Acne Vulgaris; Conjunctivitis; Eye Infections; Infections
SULFACETAMIDE
×
Maximum Phase:
4
First Approval:
1945
UNII:
4965G3J0F5
Molecule Type:
Small molecule
Molecular Formula:
C8H10N2O3S
Molecular Weight:
214.25
AlogP:
0.09
PSA:
89.26
HBD:
2.0
HBA:
#RotB:
2.0
Source:
NITROFURAZONE
(1945)
Small molecule
DNA inhibitor
TOPICAL
Approved
Eye Infections; Leishmaniasis; Trypanosomiasis
NITROFURAZONE
×
Maximum Phase:
4
First Approval:
1945
UNII:
X8XI70B5Z6
Molecule Type:
Small molecule
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.14
AlogP:
0.19
PSA:
123.76
HBD:
2.0
HBA:
#RotB:
3.0
Source:
TUBOCURARINE
(1945)
Small molecule
Unknown
Unknown
Approved
Unknown
TUBOCURARINE
×
Maximum Phase:
4
First Approval:
1945
UNII:
W9YXS298BM
Molecule Type:
Small molecule
Molecular Formula:
C37H41N2O6+
Molecular Weight:
609.74
AlogP:
6.7
PSA:
80.62
HBD:
2.0
HBA:
#RotB:
2.0
Source:
TUBOCURARINE CHLORIDE
(1945)
Small molecule
Muscle-type nicotinic acetylcholine receptor antagonist
INJECTION
Approved
Unknown
TUBOCURARINE CHLORIDE
×
Maximum Phase:
4
First Approval:
1945
UNII:
900961Z8VR
Molecule Type:
Small molecule
Molecular Formula:
C37H52Cl2N2O11
Molecular Weight:
771.73
AlogP:
6.7
PSA:
80.62
HBD:
2.0
HBA:
#RotB:
2.0
Source:
SULFATHIAZOLE
(1945)
Small molecule
Bacterial dihydropteroate synthase inhibitor
Unknown
Approved
Bacterial Infections
SULFATHIAZOLE
×
Maximum Phase:
4
First Approval:
1945
UNII:
Y7FKS2XWQH
Molecule Type:
Small molecule
Molecular Formula:
C9H9N3O2S2
Molecular Weight:
255.32
AlogP:
1.53
PSA:
85.08
HBD:
2.0
HBA:
#RotB:
3.0
Source:
SULFABENZAMIDE
(1945)
Small molecule
Unknown
Unknown
Approved
Unknown
SULFABENZAMIDE
×
Maximum Phase:
4
First Approval:
1945
UNII:
G58F8OPL4I
Molecule Type:
Small molecule
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.32
AlogP:
1.39
PSA:
89.26
HBD:
2.0
HBA:
#RotB:
3.0
Source:
DIHYDROERGOTAMINE MESYLATE
(1946)
Small molecule
Serotonin 1d (5-HT1d) receptor agonist
INJECTION; NASAL
Approved
Migraine Disorders
DIHYDROERGOTAMINE MESYLATE
×
Maximum Phase:
4
First Approval:
1946
UNII:
81AXN7R2QT
Molecule Type:
Small molecule
Molecular Formula:
C34H41N5O8S
Molecular Weight:
679.8
AlogP:
2.08
PSA:
118.21
HBD:
3.0
HBA:
#RotB:
4.0
Source:
DIMERCAPROL
(1946)
Small molecule
Heavy metals chelating agent
INJECTION
Approved
Unknown
DIMERCAPROL
×
Maximum Phase:
4
First Approval:
1946
UNII:
0CPP32S55X
Molecule Type:
Small molecule
Molecular Formula:
C3H8OS2
Molecular Weight:
124.23
AlogP:
0.21
PSA:
20.23
HBD:
3.0
HBA:
#RotB:
2.0
Source:
STREPTOMYCIN SULFATE
(1946)
Small molecule
Bacterial 70S ribosome inhibitor
INJECTION
Approved
Chancroid; Granuloma Inguinale; Infections; Plague; Pneumonia; Tuberculosis; Tularemia; Urinary Tract Infections
STREPTOMYCIN SULFATE
×
Maximum Phase:
4
First Approval:
1946
UNII:
CW25IKJ202
Molecule Type:
Small molecule
Molecular Formula:
C42H84N14O36S3
Molecular Weight:
1457.4
AlogP:
-8.16
PSA:
336.43
HBD:
12.0
HBA:
#RotB:
9.0
Source:
MEPHENYTOIN
(1946)
Small molecule
Sodium channel alpha subunit blocker
ORAL
Approved
Epilepsy
MEPHENYTOIN
×
Maximum Phase:
4
First Approval:
1946
UNII:
R420KW629U
Molecule Type:
Small molecule
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.26
AlogP:
1.47
PSA:
49.41
HBD:
1.0
HBA:
#RotB:
2.0
Source:
TETRADECYL SULFURIC ACID
(1946)
Small molecule
Unknown
Unknown
Approved
Unknown
TETRADECYL SULFURIC ACID
×
Maximum Phase:
4
First Approval:
1946
UNII:
6326W0DRHY
Molecule Type:
Small molecule
Molecular Formula:
C14H30O4S
Molecular Weight:
294.46
AlogP:
4.22
PSA:
63.6
HBD:
1.0
HBA:
#RotB:
11.0
Source:
TRIMETHADIONE
(1946)
Small molecule
Voltage-gated T-type calcium channel blocker
ORAL
Approved
Epilepsy
TRIMETHADIONE
×
Maximum Phase:
4
First Approval:
1946
UNII:
R7GV3H6FQ4
Molecule Type:
Small molecule
Molecular Formula:
C6H9NO3
Molecular Weight:
143.14
AlogP:
0.37
PSA:
46.61
HBD:
0.0
HBA:
#RotB:
0.0
Source:
DIHYDROERGOTAMINE
(1946)
Small molecule
Unknown
Unknown
Approved
Migraine Disorders
DIHYDROERGOTAMINE
×
Maximum Phase:
4
First Approval:
1946
UNII:
436O5HM03C
Molecule Type:
Small molecule
Molecular Formula:
C33H37N5O5
Molecular Weight:
583.69
AlogP:
2.08
PSA:
118.21
HBD:
3.0
HBA:
#RotB:
4.0
Source:
SODIUM TETRADECYL SULFATE
(1946)
Small molecule
Unknown
INJECTION
Approved
Varicose Veins
SODIUM TETRADECYL SULFATE
×
Maximum Phase:
4
First Approval:
1946
UNII:
Q1SUG5KBD6
Molecule Type:
Small molecule
Molecular Formula:
C14H29NaO4S
Molecular Weight:
316.44
AlogP:
4.22
PSA:
63.6
HBD:
1.0
HBA:
#RotB:
11.0
Source:
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