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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
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:
SORAFENIB
(2005)
Small molecule
Unknown
ORAL
Approved
Carcinoma, Renal Cell; Neoplasms
SORAFENIB
×
Maximum Phase:
4
First Approval:
2005
UNII:
9ZOQ3TZI87
Molecule Type:
Small molecule
Molecular Formula:
C21H16ClF3N4O3
Molecular Weight:
464.83
AlogP:
5.55
PSA:
92.35
HBD:
3.0
HBA:
#RotB:
5.0
Source:
CLOBAZAM
(2005)
Small molecule
GABA-A receptor; anion channel positive allosteric modulator
ORAL
Approved
Anxiety; Lennox Gastaut Syndrome; Seizures
CLOBAZAM
×
Maximum Phase:
4
First Approval:
2005
UNII:
2MRO291B4U
Molecule Type:
Small molecule
Molecular Formula:
C16H13ClN2O2
Molecular Weight:
300.75
AlogP:
3.37
PSA:
40.62
HBD:
0.0
HBA:
#RotB:
1.0
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:
LEVALBUTEROL TARTRATE
(2005)
Small molecule
Beta-2 adrenergic receptor agonist
INHALATION
Approved
Unknown
LEVALBUTEROL TARTRATE
×
Maximum Phase:
4
First Approval:
2005
UNII:
ADS4I3E22M
Molecule Type:
Small molecule
Molecular Formula:
C30H48N2O12
Molecular Weight:
628.72
AlogP:
1.31
PSA:
72.72
HBD:
4.0
HBA:
#RotB:
4.0
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:
CONIVAPTAN
(2005)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases
CONIVAPTAN
×
Maximum Phase:
4
First Approval:
2005
UNII:
0NJ98Y462X
Molecule Type:
Small molecule
Molecular Formula:
C32H26N4O2
Molecular Weight:
498.59
AlogP:
6.51
PSA:
78.09
HBD:
2.0
HBA:
#RotB:
4.0
Source:
CONIVAPTAN HYDROCHLORIDE
(2005)
Small molecule
Vasopressin V1a receptor antagonist
INJECTION; INTRAVENOUS
Approved
Heart Failure
CONIVAPTAN HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2005
UNII:
75L57R6X36
Molecule Type:
Small molecule
Molecular Formula:
C32H27ClN4O2
Molecular Weight:
535.05
AlogP:
6.51
PSA:
78.09
HBD:
2.0
HBA:
#RotB:
4.0
Source:
LENALIDOMIDE
(2005)
Small molecule
CRL4(CRBN) E3 ubiquitin ligase inhibitor
ORAL
Approved
Anemia; Immune System Diseases; Lymphoma, Mantle-Cell; Multiple Myeloma; Myelodysplastic Syndromes
LENALIDOMIDE
×
Maximum Phase:
4
First Approval:
2005
UNII:
F0P408N6V4
Molecule Type:
Small molecule
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.26
AlogP:
0.03
PSA:
92.5
HBD:
2.0
HBA:
#RotB:
1.0
Source:
DIPHENHYDRAMINE CITRATE
(2005)
Small molecule
Histamine H1 receptor antagonist
Unknown
Approved
Burns; Common Cold; Cough; Dizziness; Insect Bites and Stings; Motion Sickness; Nasal Obstruction; Nausea; Postoperative Nausea and Vomiting; Pruritus; Rhinitis, Allergic; Rhinitis, Allergic, Seasonal; Sleep Initiation and Maintenance Disorders; Sunburn; Vomiting
DIPHENHYDRAMINE CITRATE
×
Maximum Phase:
4
First Approval:
2005
UNII:
4OD433S209
Molecule Type:
Small molecule
Molecular Formula:
C23H29NO8
Molecular Weight:
447.48
AlogP:
3.35
PSA:
12.47
HBD:
0.0
HBA:
#RotB:
6.0
Source:
MICAFUNGIN
(2005)
Small molecule
Unknown
Unknown
Approved
Unknown
MICAFUNGIN
×
Maximum Phase:
4
First Approval:
2005
UNII:
R10H71BSWG
Molecule Type:
Small molecule
Molecular Formula:
C56H71N9O23S
Molecular Weight:
1270.29
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
TIPRANAVIR
(2005)
Small molecule
Human immunodeficiency virus type 1 protease inhibitor
ORAL
Approved
HIV Infections; Hemorrhage; Virus Diseases
TIPRANAVIR
×
Maximum Phase:
4
First Approval:
2005
UNII:
ZZT404XD09
Molecule Type:
Small molecule
Molecular Formula:
C31H33F3N2O5S
Molecular Weight:
602.68
AlogP:
7.33
PSA:
105.59
HBD:
2.0
HBA:
#RotB:
11.0
Source:
TETRACAINE
(2005)
Small molecule
Sodium channel alpha subunit blocker
Unknown
Approved
Hemorrhoids; Pain; Pruritus
TETRACAINE
×
Maximum Phase:
4
First Approval:
2005
UNII:
0619F35CGV
Molecule Type:
Small molecule
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.37
AlogP:
2.62
PSA:
41.57
HBD:
1.0
HBA:
#RotB:
8.0
Source:
RAMELTEON
(2005)
Small molecule
Melatonin receptor agonist
ORAL
Approved
Sleep Initiation and Maintenance Disorders
RAMELTEON
×
Maximum Phase:
4
First Approval:
2005
UNII:
901AS54I69
Molecule Type:
Small molecule
Molecular Formula:
C16H21NO2
Molecular Weight:
259.35
AlogP:
2.57
PSA:
38.33
HBD:
1.0
HBA:
#RotB:
4.0
Source:
DEFERASIROX
(2005)
Small molecule
Iron chelating agent
ORAL
Approved
Myelodysplastic Syndromes
DEFERASIROX
×
Maximum Phase:
4
First Approval:
2005
UNII:
V8G4MOF2V9
Molecule Type:
Small molecule
Molecular Formula:
C21H15N3O4
Molecular Weight:
373.37
AlogP:
3.71
PSA:
108.47
HBD:
3.0
HBA:
#RotB:
4.0
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:
ZINC OXIDE
(2006)
Small molecule
Sunscreen/skin protectant
Unknown
Approved
Anemia; Anemia, Iron-Deficiency; Burns; Dermatitis; Diaper Rash; Exanthema; Fever; Hemorrhage; Hemorrhoids; Lymphedema; Neoplasms; Pruritus; Psoriasis; Skin Neoplasms; Sprains and Strains; Sunburn; Thrombophlebitis; Varicose Ulcer
ZINC OXIDE
×
Maximum Phase:
4
First Approval:
2006
UNII:
SOI2LOH54Z
Molecule Type:
Small molecule
Molecular Formula:
OZn
Molecular Weight:
81.39
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
SITAXENTAN SODIUM
(2006)
Small molecule
Endothelin receptor, ET-A/ET-B antagonist
Unknown
Approved
Unknown
SITAXENTAN SODIUM
×
Maximum Phase:
4
First Approval:
2006
UNII:
6V9JH46E20
Molecule Type:
Small molecule
Molecular Formula:
C18H14ClN2NaO6S2
Molecular Weight:
476.9
AlogP:
3.96
PSA:
107.73
HBD:
1.0
HBA:
#RotB:
6.0
Source:
ARFORMOTEROL
(2006)
Small molecule
Unknown
Unknown
Approved
Unknown
ARFORMOTEROL
×
Maximum Phase:
4
First Approval:
2006
UNII:
F91H02EBWT
Molecule Type:
Small molecule
Molecular Formula:
C19H24N2O4
Molecular Weight:
344.41
AlogP:
2.22
PSA:
90.82
HBD:
4.0
HBA:
#RotB:
9.0
Source:
CARVEDILOL PHOSPHATE
(2006)
Small molecule
Adrenergic receptor alpha-1 antagonist
ORAL
Approved
Hypertension; Myocardial Infarction; Ventricular Dysfunction, Left
CARVEDILOL PHOSPHATE
×
Maximum Phase:
4
First Approval:
2006
UNII:
15DX7Y16JB
Molecule Type:
Small molecule
Molecular Formula:
C24H29N2O8P
Molecular Weight:
504.48
AlogP:
3.74
PSA:
75.74
HBD:
3.0
HBA:
#RotB:
10.0
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:
LUBIPROSTONE
(2006)
Small molecule
Chloride channel protein 2 opener
ORAL
Approved
Chronic Pain; Constipation; Irritable Bowel Syndrome
LUBIPROSTONE
×
Maximum Phase:
4
First Approval:
2006
UNII:
7662KG2R6K
Molecule Type:
Small molecule
Molecular Formula:
C20H32F2O5
Molecular Weight:
390.47
AlogP:
4.31
PSA:
83.83
HBD:
2.0
HBA:
#RotB:
11.0
Source:
TELBIVUDINE
(2006)
Small molecule
DNA polymerase/reverse transcriptase inhibitor
Unknown
Approved
Hepatitis B, Chronic; Virus Diseases
TELBIVUDINE
×
Maximum Phase:
4
First Approval:
2006
UNII:
2OC4HKD3SF
Molecule Type:
Small molecule
Molecular Formula:
C10H14N2O5
Molecular Weight:
242.23
AlogP:
-1.51
PSA:
104.55
HBD:
3.0
HBA:
#RotB:
2.0
Source:
IBUPROFEN LYSINE
(2006)
Small molecule
Cyclooxygenase inhibitor
Unknown
Approved
Ductus Arteriosus, Patent
IBUPROFEN LYSINE
×
Maximum Phase:
4
First Approval:
2006
UNII:
N01ORX9D6S
Molecule Type:
Small molecule
Molecular Formula:
C19H32N2O4
Molecular Weight:
352.48
AlogP:
3.07
PSA:
37.3
HBD:
1.0
HBA:
#RotB:
4.0
Source:
ANIDULAFUNGIN
(2006)
Small molecule
1,3-beta-glucan synthase inhibitor
INJECTION; INTRAVENOUS
Approved
Candidemia; Candidiasis; Peritonitis
ANIDULAFUNGIN
×
Maximum Phase:
4
First Approval:
2006
UNII:
9HLM53094I
Molecule Type:
Small molecule
Molecular Formula:
C58H73N7O17
Molecular Weight:
1140.25
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
VARENICLINE
(2006)
Small molecule
Neuronal acetylcholine receptor; alpha4/beta2 partial agonist
ORAL
Approved
Tobacco Use Disorder
VARENICLINE
×
Maximum Phase:
4
First Approval:
2006
UNII:
W6HS99O8ZO
Molecule Type:
Small molecule
Molecular Formula:
C13H13N3
Molecular Weight:
211.27
AlogP:
1.8
PSA:
37.81
HBD:
1.0
HBA:
#RotB:
0.0
Source:
TITANIUM DIOXIDE
(2006)
Small molecule
Unknown
Unknown
Approved
Unknown
TITANIUM DIOXIDE
×
Maximum Phase:
4
First Approval:
2006
UNII:
15FIX9V2JP
Molecule Type:
Small molecule
Molecular Formula:
O2Ti
Molecular Weight:
79.86
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
SUNITINIB
(2006)
Small molecule
Unknown
Unknown
Approved
Neoplasms
SUNITINIB
×
Maximum Phase:
4
First Approval:
2006
UNII:
V99T50803M
Molecule Type:
Small molecule
Molecular Formula:
C22H27FN4O2
Molecular Weight:
398.48
AlogP:
3.33
PSA:
77.23
HBD:
3.0
HBA:
#RotB:
7.0
Source:
TETRACYCLINE
(2006)
Small molecule
Bacterial 70S ribosome inhibitor
Unknown
Approved
Bacterial Infections; Eye Infections; Infections
TETRACYCLINE
×
Maximum Phase:
4
First Approval:
2006
UNII:
F8VB5M810T
Molecule Type:
Small molecule
Molecular Formula:
C22H24N2O8
Molecular Weight:
444.44
AlogP:
-0.21
PSA:
181.62
HBD:
6.0
HBA:
#RotB:
2.0
Source:
RANOLAZINE
(2006)
Small molecule
Sodium channel protein type IV alpha subunit blocker
ORAL
Approved
Angina Pectoris; Cardiovascular Diseases
RANOLAZINE
×
Maximum Phase:
4
First Approval:
2006
UNII:
A6IEZ5M406
Molecule Type:
Small molecule
Molecular Formula:
C24H33N3O4
Molecular Weight:
427.55
AlogP:
2.31
PSA:
74.27
HBD:
2.0
HBA:
#RotB:
9.0
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:
RASAGILINE MESYLATE
(2006)
Small molecule
Monoamine oxidase B inhibitor
ORAL
Approved
Parkinson Disease
RASAGILINE MESYLATE
×
Maximum Phase:
4
First Approval:
2006
UNII:
LH8C2JI290
Molecule Type:
Small molecule
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.35
AlogP:
1.9
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
2.0
Source:
SUNITINIB MALATE
(2006)
Small molecule
Macrophage colony stimulating factor receptor inhibitor
ORAL
Approved
Carcinoma, Renal Cell; Gastrointestinal Stromal Tumors; Neuroendocrine Tumors
SUNITINIB MALATE
×
Maximum Phase:
4
First Approval:
2006
UNII:
LVX8N1UT73
Molecule Type:
Small molecule
Molecular Formula:
C26H33FN4O7
Molecular Weight:
532.57
AlogP:
3.33
PSA:
77.23
HBD:
3.0
HBA:
#RotB:
7.0
Source:
DARUNAVIR
(2006)
Small molecule
Human immunodeficiency virus type 1 protease inhibitor
ORAL
Approved
Virus Diseases
DARUNAVIR
×
Maximum Phase:
4
First Approval:
2006
UNII:
YO603Y8113
Molecule Type:
Small molecule
Molecular Formula:
C27H37N3O7S
Molecular Weight:
547.67
AlogP:
2.38
PSA:
140.42
HBD:
3.0
HBA:
#RotB:
11.0
Source:
LACTIC ACID
(2006)
Small molecule
pH lowering agent
Unknown
Approved
Acid-Base Imbalance; Electrolytes
LACTIC ACID
×
Maximum Phase:
4
First Approval:
2006
UNII:
3B8D35Y7S4
Molecule Type:
Small molecule
Molecular Formula:
C3H6O3
Molecular Weight:
90.08
AlogP:
-0.55
PSA:
57.53
HBD:
2.0
HBA:
#RotB:
1.0
Source:
POSACONAZOLE
(2006)
Small molecule
Cytochrome P450 51 inhibitor
INTRAVENOUS; ORAL
Approved
Aspergillosis; Candidiasis; Neutropenia
POSACONAZOLE
×
Maximum Phase:
4
First Approval:
2006
UNII:
6TK1G07BHZ
Molecule Type:
Small molecule
Molecular Formula:
C37H42F2N8O4
Molecular Weight:
700.79
AlogP:
4.57
PSA:
115.7
HBD:
1.0
HBA:
#RotB:
12.0
Source:
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Compound Name
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Molecular Formula
Molecular Weight
ALogP
PSA