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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
220
TEMOZOLOMIDE
(1999)
Small molecule
DNA inhibitor
INTRAVENOUS; ORAL
Approved
Glioblastoma; Neoplasms
TEMOZOLOMIDE
×
Maximum Phase:
4
First Approval:
1999
UNII:
YF1K15M17Y
Molecule Type:
Small molecule
Molecular Formula:
C6H6N6O2
Molecular Weight:
194.15
AlogP:
-2.08
PSA:
108.17
HBD:
1.0
HBA:
#RotB:
1.0
Source:
OSELTAMIVIR PHOSPHATE
(1999)
Small molecule
Neuraminidase inhibitor
ORAL
Approved
Influenza, Human; Kidney Failure, Chronic
OSELTAMIVIR PHOSPHATE
×
Maximum Phase:
4
First Approval:
1999
UNII:
4A3O49NGEZ
Molecule Type:
Small molecule
Molecular Formula:
C16H31N2O8P
Molecular Weight:
410.4
AlogP:
1.29
PSA:
90.65
HBD:
2.0
HBA:
#RotB:
7.0
Source:
OSELTAMIVIR
(1999)
Small molecule
Unknown
Unknown
Approved
Virus Diseases
OSELTAMIVIR
×
Maximum Phase:
4
First Approval:
1999
UNII:
20O93L6F9H
Molecule Type:
Small molecule
Molecular Formula:
C16H28N2O4
Molecular Weight:
312.41
AlogP:
1.29
PSA:
90.65
HBD:
2.0
HBA:
#RotB:
7.0
Source:
UNOPROSTONE ISOPROPYL
(2000)
Small molecule
Unknown
OPHTHALMIC
Approved
Glaucoma
UNOPROSTONE ISOPROPYL
×
Maximum Phase:
4
First Approval:
2000
UNII:
5M161S5O5P
Molecule Type:
Small molecule
Molecular Formula:
C25H44O5
Molecular Weight:
424.62
AlogP:
5.12
PSA:
83.83
HBD:
2.0
HBA:
#RotB:
16.0
Source:
BALSALAZIDE DISODIUM
(2000)
Small molecule
Arachidonate 5-lipoxygenase inhibitor
ORAL
Approved
Colitis, Ulcerative
BALSALAZIDE DISODIUM
×
Maximum Phase:
4
First Approval:
2000
UNII:
15ASW03C9S
Molecule Type:
Small molecule
Molecular Formula:
C17H13N3Na2O6
Molecular Weight:
401.29
AlogP:
2.71
PSA:
148.65
HBD:
4.0
HBA:
#RotB:
7.0
Source:
BALSALAZIDE
(2000)
Small molecule
Unknown
Unknown
Approved
Unknown
BALSALAZIDE
×
Maximum Phase:
4
First Approval:
2000
UNII:
P80AL8J7ZP
Molecule Type:
Small molecule
Molecular Formula:
C17H15N3O6
Molecular Weight:
357.32
AlogP:
2.71
PSA:
148.65
HBD:
4.0
HBA:
#RotB:
7.0
Source:
OXCARBAZEPINE
(2000)
Small molecule
Sodium channel alpha subunit blocker
ORAL
Approved
Epilepsy; Seizures
OXCARBAZEPINE
×
Maximum Phase:
4
First Approval:
2000
UNII:
VZI5B1W380
Molecule Type:
Small molecule
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.27
AlogP:
2.64
PSA:
63.4
HBD:
1.0
HBA:
#RotB:
0.0
Source:
ESOMEPRAZOLE
(2001)
Small molecule
Unknown
Unknown
Approved
Gastroesophageal Reflux; Peptic Ulcer
ESOMEPRAZOLE
×
Maximum Phase:
4
First Approval:
2001
UNII:
N3PA6559FT
Molecule Type:
Small molecule
Molecular Formula:
C17H19N3O3S
Molecular Weight:
345.42
AlogP:
2.9
PSA:
77.1
HBD:
1.0
HBA:
#RotB:
5.0
Source:
TOCOPHEROL ACETATE
(2001)
Small molecule
Unknown
Unknown
Approved
Unknown
TOCOPHEROL ACETATE
×
Maximum Phase:
4
First Approval:
2001
UNII:
9E8X80D2L0
Molecule Type:
Small molecule
Molecular Formula:
C31H52O3
Molecular Weight:
472.75
AlogP:
9.06
PSA:
35.53
HBD:
0.0
HBA:
#RotB:
13.0
Source:
TRAVOPROST
(2001)
Small molecule
Prostanoid FP receptor agonist
OPHTHALMIC
Approved
Glaucoma; Glaucoma, Open-Angle; Ocular Hypertension
TRAVOPROST
×
Maximum Phase:
4
First Approval:
2001
UNII:
WJ68R08KX9
Molecule Type:
Small molecule
Molecular Formula:
C26H35F3O6
Molecular Weight:
500.55
AlogP:
4.43
PSA:
96.22
HBD:
3.0
HBA:
#RotB:
12.0
Source:
ESOMEPRAZOLE MAGNESIUM
(2001)
Small molecule
Potassium-transporting ATPase inhibitor
ORAL
Approved
Arthritis, Rheumatoid; Duodenal Ulcer; Esophagitis; Gastroesophageal Reflux; Osteoarthritis; Spondylitis, Ankylosing; Stomach Ulcer; Zollinger-Ellison Syndrome
ESOMEPRAZOLE MAGNESIUM
×
Maximum Phase:
4
First Approval:
2001
UNII:
925R0D7W1O
Molecule Type:
Small molecule
Molecular Formula:
C34H36MgN6O6S2
Molecular Weight:
713.14
AlogP:
2.9
PSA:
77.1
HBD:
1.0
HBA:
#RotB:
5.0
Source:
VALGANCICLOVIR HYDROCHLORIDE
(2001)
Small molecule
Human herpesvirus 1 DNA polymerase inhibitor
ORAL
Approved
Acquired Immunodeficiency Syndrome; Cytomegalovirus Retinitis; Retinitis
VALGANCICLOVIR HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2001
UNII:
4P3T9QF9NZ
Molecule Type:
Small molecule
Molecular Formula:
C14H23ClN6O5
Molecular Weight:
390.83
AlogP:
-1.44
PSA:
171.37
HBD:
4.0
HBA:
#RotB:
8.0
Source:
TENOFOVIR DISOPROXIL
(2001)
Small molecule
Unknown
Unknown
Approved
Virus Diseases
TENOFOVIR DISOPROXIL
×
Maximum Phase:
4
First Approval:
2001
UNII:
F4YU4LON7I
Molecule Type:
Small molecule
Molecular Formula:
C19H30N5O10P
Molecular Weight:
519.45
AlogP:
3.04
PSA:
185.44
HBD:
1.0
HBA:
#RotB:
13.0
Source:
VALGANCICLOVIR
(2001)
Small molecule
Unknown
Unknown
Approved
Virus Diseases
VALGANCICLOVIR
×
Maximum Phase:
4
First Approval:
2001
UNII:
GCU97FKN3R
Molecule Type:
Small molecule
Molecular Formula:
C14H22N6O5
Molecular Weight:
354.37
AlogP:
-1.44
PSA:
171.37
HBD:
4.0
HBA:
#RotB:
8.0
Source:
TENOFOVIR DISOPROXIL FUMARATE
(2001)
Small molecule
Human immunodeficiency virus type 1 reverse transcriptase inhibitor
ORAL
Approved
HIV Infections; Hepatitis B, Chronic; Infections; Liver Diseases
TENOFOVIR DISOPROXIL FUMARATE
×
Maximum Phase:
4
First Approval:
2001
UNII:
OTT9J7900I
Molecule Type:
Small molecule
Molecular Formula:
C23H34N5O14P
Molecular Weight:
635.52
AlogP:
3.04
PSA:
185.44
HBD:
1.0
HBA:
#RotB:
13.0
Source:
CEFDITOREN PIVOXIL
(2001)
Small molecule
Bacterial penicillin-binding protein inhibitor
ORAL
Approved
Bronchitis, Chronic; Infections; Pharyngitis; Tonsillitis
CEFDITOREN PIVOXIL
×
Maximum Phase:
4
First Approval:
2001
UNII:
78THA212DH
Molecule Type:
Small molecule
Molecular Formula:
C25H28N6O7S3
Molecular Weight:
620.74
AlogP:
2.3
PSA:
175.4
HBD:
2.0
HBA:
#RotB:
9.0
Source:
ADEFOVIR DIPIVOXIL
(2002)
Small molecule
DNA polymerase/reverse transcriptase inhibitor
ORAL
Approved
Hepatitis B, Chronic; Virus Diseases
ADEFOVIR DIPIVOXIL
×
Maximum Phase:
4
First Approval:
2002
UNII:
U6Q8Z01514
Molecule Type:
Small molecule
Molecular Formula:
C20H32N5O8P
Molecular Weight:
501.48
AlogP:
2.7
PSA:
166.98
HBD:
1.0
HBA:
#RotB:
11.0
Source:
NITAZOXANIDE
(2002)
Small molecule
Pyruvate:ferredoxin oxidoreductase inhibitor
ORAL
Approved
Diarrhea
NITAZOXANIDE
×
Maximum Phase:
4
First Approval:
2002
UNII:
SOA12P041N
Molecule Type:
Small molecule
Molecular Formula:
C12H9N3O5S
Molecular Weight:
307.29
AlogP:
2.23
PSA:
111.43
HBD:
1.0
HBA:
#RotB:
4.0
Source:
ESTRADIOL ACETATE
(2003)
Small molecule
Estrogen receptor alpha agonist
ORAL; VAGINAL
Approved
Atrophy; Menopause
ESTRADIOL ACETATE
×
Maximum Phase:
4
First Approval:
2003
UNII:
5R97F5H93P
Molecule Type:
Small molecule
Molecular Formula:
C20H26O3
Molecular Weight:
314.43
AlogP:
3.83
PSA:
46.53
HBD:
1.0
HBA:
#RotB:
1.0
Source:
FOSAMPRENAVIR
(2003)
Small molecule
Unknown
Unknown
Approved
Virus Diseases
FOSAMPRENAVIR
×
Maximum Phase:
4
First Approval:
2003
UNII:
WOU1621EEG
Molecule Type:
Small molecule
Molecular Formula:
C25H36N3O9PS
Molecular Weight:
585.62
AlogP:
2.52
PSA:
177.72
HBD:
4.0
HBA:
#RotB:
13.0
Source:
FOSAMPRENAVIR CALCIUM
(2003)
Small molecule
Human immunodeficiency virus type 1 protease inhibitor
ORAL
Approved
Autoimmune Diseases; HIV Infections
FOSAMPRENAVIR CALCIUM
×
Maximum Phase:
4
First Approval:
2003
UNII:
ID1GU2627N
Molecule Type:
Small molecule
Molecular Formula:
C25H34CaN3O9PS
Molecular Weight:
623.68
AlogP:
2.52
PSA:
177.72
HBD:
4.0
HBA:
#RotB:
13.0
Source:
EMTRICITABINE
(2003)
Small molecule
Human immunodeficiency virus type 1 reverse transcriptase inhibitor
ORAL
Approved
HIV Infections; Virus Diseases
EMTRICITABINE
×
Maximum Phase:
4
First Approval:
2003
UNII:
ULS8902U4O
Molecule Type:
Small molecule
Molecular Formula:
C8H10FN3O3S
Molecular Weight:
247.25
AlogP:
-0.46
PSA:
90.37
HBD:
2.0
HBA:
#RotB:
2.0
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:
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:
CLOFARABINE
(2004)
Small molecule
DNA inhibitor
INJECTION; INTRAVENOUS
Approved
Neoplasms; Precursor Cell Lymphoblastic Leukemia-Lymphoma
CLOFARABINE
×
Maximum Phase:
4
First Approval:
2004
UNII:
762RDY0Y2H
Molecule Type:
Small molecule
Molecular Formula:
C10H11ClFN5O3
Molecular Weight:
303.68
AlogP:
-0.35
PSA:
119.31
HBD:
3.0
HBA:
#RotB:
2.0
Source:
METHYL AMINOLEVULINATE
(2004)
Small molecule
Unknown
Unknown
Approved
Neoplasms
METHYL AMINOLEVULINATE
×
Maximum Phase:
4
First Approval:
2004
UNII:
585NM85KYM
Molecule Type:
Small molecule
Molecular Formula:
C6H11NO3
Molecular Weight:
145.16
AlogP:
-0.53
PSA:
69.39
HBD:
1.0
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:
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:
ESOMEPRAZOLE SODIUM
(2005)
Small molecule
Potassium-transporting ATPase inhibitor
INTRAVENOUS
Approved
Duodenal Ulcer; Gastroesophageal Reflux
ESOMEPRAZOLE SODIUM
×
Maximum Phase:
4
First Approval:
2005
UNII:
L2C9GWQ43H
Molecule Type:
Small molecule
Molecular Formula:
C17H18N3NaO3S
Molecular Weight:
367.41
AlogP:
2.9
PSA:
77.1
HBD:
1.0
HBA:
#RotB:
5.0
Source:
NEPAFENAC
(2005)
Small molecule
Cyclooxygenase inhibitor
OPHTHALMIC
Approved
Cataract; Eye Diseases; Inflammation
NEPAFENAC
×
Maximum Phase:
4
First Approval:
2005
UNII:
0J9L7J6V8C
Molecule Type:
Small molecule
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.29
AlogP:
1.53
PSA:
86.18
HBD:
2.0
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:
ENTECAVIR
(2005)
Small molecule
DNA polymerase/reverse transcriptase inhibitor
ORAL
Approved
Hepatitis B; Hepatitis B, Chronic; Liver Diseases; Virus Diseases
ENTECAVIR
×
Maximum Phase:
4
First Approval:
2005
UNII:
NNU2O4609D
Molecule Type:
Small molecule
Molecular Formula:
C12H15N5O3
Molecular Weight:
277.28
AlogP:
-0.83
PSA:
130.05
HBD:
4.0
HBA:
#RotB:
2.0
Source:
DECITABINE
(2006)
Small molecule
DNA (cytosine-5)-methyltransferase 1 inhibitor
INTRAVENOUS
Approved
Anemia; Anemia, Refractory, with Excess of Blasts; Leukemia, Myelomonocytic, Chronic; Myelodysplastic Syndromes; Neoplasms
DECITABINE
×
Maximum Phase:
4
First Approval:
2006
UNII:
776B62CQ27
Molecule Type:
Small molecule
Molecular Formula:
C8H12N4O4
Molecular Weight:
228.21
AlogP:
-2.14
PSA:
123.49
HBD:
3.0
HBA:
#RotB:
2.0
Source:
CICLESONIDE
(2006)
Small molecule
Glucocorticoid receptor agonist
INHALATION; NASAL
Approved
Asthma; Lung Diseases, Obstructive; Nasal Obstruction; Rhinitis, Allergic, Perennial; Rhinitis, Allergic, Seasonal
CICLESONIDE
×
Maximum Phase:
4
First Approval:
2006
UNII:
S59502J185
Molecule Type:
Small molecule
Molecular Formula:
C32H44O7
Molecular Weight:
540.7
AlogP:
4.7
PSA:
99.13
HBD:
1.0
HBA:
#RotB:
5.0
Source:
LISDEXAMFETAMINE DIMESYLATE
(2007)
Small molecule
Dopamine transporter releasing agent
ORAL
Approved
Arteriosclerosis; Attention Deficit Disorder with Hyperactivity; Binge-Eating Disorder; Glaucoma; Substance-Related Disorders
LISDEXAMFETAMINE DIMESYLATE
×
Maximum Phase:
4
First Approval:
2007
UNII:
SJT761GEGS
Molecule Type:
Small molecule
Molecular Formula:
C17H33N3O7S2
Molecular Weight:
455.6
AlogP:
1.19
PSA:
81.14
HBD:
3.0
HBA:
#RotB:
8.0
Source:
LISDEXAMFETAMINE
(2007)
Small molecule
Unknown
Unknown
Approved
Attention Deficit Disorder with Hyperactivity
LISDEXAMFETAMINE
×
Maximum Phase:
4
First Approval:
2007
UNII:
H645GUL8KJ
Molecule Type:
Small molecule
Molecular Formula:
C15H25N3O
Molecular Weight:
263.38
AlogP:
1.19
PSA:
81.14
HBD:
3.0
HBA:
#RotB:
8.0
Source:
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Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA