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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
RIMONABANT
(2006)
Small molecule
Cannabinoid CB1 receptor antagonist
Unknown
Approved
Obesity
RIMONABANT
×
Maximum Phase:
4
First Approval:
2006
UNII:
RML78EN3XE
Molecule Type:
Small molecule
Molecular Formula:
C22H21Cl3N4O
Molecular Weight:
463.8
AlogP:
5.94
PSA:
50.16
HBD:
1.0
HBA:
#RotB:
4.0
Source:
SITAGLIPTIN PHOSPHATE
(2006)
Small molecule
Dipeptidyl peptidase IV inhibitor
ORAL
Approved
Diabetes Mellitus, Type 2; Hyperlipidemias; Myocardial Infarction; Stroke
SITAGLIPTIN PHOSPHATE
×
Maximum Phase:
4
First Approval:
2006
UNII:
TS63EW8X6F
Molecule Type:
Small molecule
Molecular Formula:
C16H20F6N5O6P
Molecular Weight:
523.33
AlogP:
2.02
PSA:
77.04
HBD:
1.0
HBA:
#RotB:
4.0
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:
DARUNAVIR ETHANOLATE
(2006)
Small molecule
Human immunodeficiency virus type 1 protease inhibitor
ORAL
Approved
Autoimmune Diseases; HIV Infections; Infections
DARUNAVIR ETHANOLATE
×
Maximum Phase:
4
First Approval:
2006
UNII:
33O78XF0BW
Molecule Type:
Small molecule
Molecular Formula:
C29H43N3O8S
Molecular Weight:
593.74
AlogP:
2.38
PSA:
140.42
HBD:
3.0
HBA:
#RotB:
11.0
Source:
DASATINIB
(2006)
Small molecule
Bcr/Abl fusion protein
ORAL
Approved
Leukemia, Myelogenous, Chronic, BCR-ABL Positive; Neoplasms; Precursor Cell Lymphoblastic Leukemia-Lymphoma
DASATINIB
×
Maximum Phase:
4
First Approval:
2006
UNII:
X78UG0A0RN
Molecule Type:
Small molecule
Molecular Formula:
C22H26ClN7O2S
Molecular Weight:
488.02
AlogP:
3.31
PSA:
106.51
HBD:
3.0
HBA:
#RotB:
7.0
Source:
ECAMSULE
(2006)
Small molecule
Sunscreen
Unknown
Approved
Unknown
ECAMSULE
×
Maximum Phase:
4
First Approval:
2006
UNII:
M94R1PM439
Molecule Type:
Small molecule
Molecular Formula:
C28H34O8S2
Molecular Weight:
562.71
AlogP:
4.24
PSA:
142.88
HBD:
2.0
HBA:
#RotB:
6.0
Source:
OCTOCRYLENE
(2006)
Small molecule
Sunscreen
Unknown
Approved
Melanosis
OCTOCRYLENE
×
Maximum Phase:
4
First Approval:
2006
UNII:
5A68WGF6WM
Molecule Type:
Small molecule
Molecular Formula:
C24H27NO2
Molecular Weight:
361.49
AlogP:
5.77
PSA:
50.09
HBD:
0.0
HBA:
#RotB:
9.0
Source:
FENTANYL HYDROCHLORIDE
(2006)
Small molecule
Mu opioid receptor agonist
IONTOPHORESIS; TRANSDERMAL
Approved
Unknown
FENTANYL HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2006
UNII:
59H156XY46
Molecule Type:
Small molecule
Molecular Formula:
C22H29ClN2O
Molecular Weight:
372.94
AlogP:
4.14
PSA:
23.55
HBD:
0.0
HBA:
#RotB:
6.0
Source:
SITAGLIPTIN
(2006)
Small molecule
Unknown
Unknown
Approved
Diabetes Mellitus
SITAGLIPTIN
×
Maximum Phase:
4
First Approval:
2006
UNII:
QFP0P1DV7Z
Molecule Type:
Small molecule
Molecular Formula:
C16H15F6N5O
Molecular Weight:
407.32
AlogP:
2.02
PSA:
77.04
HBD:
1.0
HBA:
#RotB:
4.0
Source:
BISMUTH SUBCITRATE POTASSIUM
(2006)
Small molecule
Unknown
Unknown
Approved
Unknown
BISMUTH SUBCITRATE POTASSIUM
×
Maximum Phase:
4
First Approval:
2006
UNII:
R3O80H60KX
Molecule Type:
Small molecule
Molecular Formula:
C12H10BiK3O14
Molecular Weight:
704.47
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
VARENICLINE TARTRATE
(2006)
Small molecule
Neuronal acetylcholine receptor; alpha4/beta2 agonist
ORAL
Approved
Unknown
VARENICLINE TARTRATE
×
Maximum Phase:
4
First Approval:
2006
UNII:
82269ASB48
Molecule Type:
Small molecule
Molecular Formula:
C17H19N3O6
Molecular Weight:
361.35
AlogP:
1.8
PSA:
37.81
HBD:
1.0
HBA:
#RotB:
0.0
Source:
SITAXENTAN
(2006)
Small molecule
Endothelin receptor, ET-A/ET-B antagonist
Unknown
Approved
Hypertension
SITAXENTAN
×
Maximum Phase:
4
First Approval:
2006
UNII:
J9QH779MEM
Molecule Type:
Small molecule
Molecular Formula:
C18H15ClN2O6S2
Molecular Weight:
454.91
AlogP:
3.96
PSA:
107.73
HBD:
1.0
HBA:
#RotB:
6.0
Source:
ARFORMOTEROL TARTRATE
(2006)
Small molecule
Beta-2 adrenergic receptor agonist
INHALATION
Approved
Bronchitis, Chronic; Emphysema; Pulmonary Disease, Chronic Obstructive
ARFORMOTEROL TARTRATE
×
Maximum Phase:
4
First Approval:
2006
UNII:
5P8VJ2I235
Molecule Type:
Small molecule
Molecular Formula:
C23H30N2O10
Molecular Weight:
494.5
AlogP:
2.22
PSA:
90.82
HBD:
4.0
HBA:
#RotB:
9.0
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:
RASAGILINE
(2006)
Small molecule
Unknown
ORAL
Approved
Parkinson Disease
RASAGILINE
×
Maximum Phase:
4
First Approval:
2006
UNII:
003N66TS6T
Molecule Type:
Small molecule
Molecular Formula:
C12H13N
Molecular Weight:
171.24
AlogP:
1.9
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
2.0
Source:
PALIPERIDONE
(2006)
Small molecule
Dopamine D2 receptor antagonist
ORAL
Approved
Psychotic Disorders; Schizophrenia
PALIPERIDONE
×
Maximum Phase:
4
First Approval:
2006
UNII:
838F01T721
Molecule Type:
Small molecule
Molecular Formula:
C23H27FN4O3
Molecular Weight:
426.49
AlogP:
3.08
PSA:
84.39
HBD:
1.0
HBA:
#RotB:
4.0
Source:
SAPROPTERIN
(2007)
Small molecule
Unknown
Unknown
Approved
Unknown
SAPROPTERIN
×
Maximum Phase:
4
First Approval:
2007
UNII:
EGX657432I
Molecule Type:
Small molecule
Molecular Formula:
C9H15N5O3
Molecular Weight:
241.25
AlogP:
-1.29
PSA:
136.55
HBD:
6.0
HBA:
#RotB:
2.0
Source:
NEBIVOLOL
(2007)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases
NEBIVOLOL
×
Maximum Phase:
4
First Approval:
2007
UNII:
030Y90569U
Molecule Type:
Small molecule
Molecular Formula:
C22H25F2NO4
Molecular Weight:
405.44
AlogP:
2.36
PSA:
70.95
HBD:
3.0
HBA:
#RotB:
6.0
Source:
NILOTINIB
(2007)
Small molecule
Unknown
Unknown
Approved
Neoplasms
NILOTINIB
×
Maximum Phase:
4
First Approval:
2007
UNII:
F41401512X
Molecule Type:
Small molecule
Molecular Formula:
C28H22F3N7O
Molecular Weight:
529.53
AlogP:
6.36
PSA:
97.62
HBD:
2.0
HBA:
#RotB:
6.0
Source:
ALISKIREN FUMARATE
(2007)
Small molecule
Renin inhibitor
Unknown
Approved
Hypertension; Stroke
ALISKIREN FUMARATE
×
Maximum Phase:
4
First Approval:
2007
UNII:
C8A0P8G029
Molecule Type:
Small molecule
Molecular Formula:
C64H110N6O16
Molecular Weight:
1219.61
AlogP:
3.29
PSA:
146.13
HBD:
4.0
HBA:
#RotB:
19.0
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:
RALTEGRAVIR POTASSIUM
(2007)
Small molecule
Human immunodeficiency virus type 1 integrase inhibitor
ORAL
Approved
Autoimmune Diseases; HIV Infections
RALTEGRAVIR POTASSIUM
×
Maximum Phase:
4
First Approval:
2007
UNII:
43Y000U234
Molecule Type:
Small molecule
Molecular Formula:
C20H20FKN6O5
Molecular Weight:
482.51
AlogP:
0.91
PSA:
152.24
HBD:
3.0
HBA:
#RotB:
6.0
Source:
MARAVIROC
(2007)
Small molecule
C-C chemokine receptor type 5 antagonist
ORAL
Approved
Autoimmune Diseases; HIV Infections; Virus Diseases
MARAVIROC
×
Maximum Phase:
4
First Approval:
2007
UNII:
MD6P741W8A
Molecule Type:
Small molecule
Molecular Formula:
C29H41F2N5O
Molecular Weight:
513.68
AlogP:
5.95
PSA:
63.05
HBD:
1.0
HBA:
#RotB:
8.0
Source:
SEVELAMER
(2007)
Small molecule
Unknown
Unknown
Approved
Unknown
SEVELAMER
×
Maximum Phase:
4
First Approval:
2007
UNII:
941N5DUU5C
Molecule Type:
Small molecule
Molecular Formula:
C6H12ClNO
Molecular Weight:
149.62
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
AMBRISENTAN
(2007)
Small molecule
Endothelin receptor, ET-A/ET-B antagonist
ORAL
Approved
Familial Primary Pulmonary Hypertension; Hypertension; Hypertension, Pulmonary; Pulmonary Arterial Hypertension
AMBRISENTAN
×
Maximum Phase:
4
First Approval:
2007
UNII:
HW6NV07QEC
Molecule Type:
Small molecule
Molecular Formula:
C22H22N2O4
Molecular Weight:
378.43
AlogP:
3.52
PSA:
81.54
HBD:
1.0
HBA:
#RotB:
7.0
Source:
IXABEPILONE
(2007)
Small molecule
Tubulin inhibitor
INTRAVENOUS
Approved
Breast Neoplasms; Neoplasms
IXABEPILONE
×
Maximum Phase:
4
First Approval:
2007
UNII:
K27005NP0A
Molecule Type:
Small molecule
Molecular Formula:
C27H42N2O5S
Molecular Weight:
506.71
AlogP:
4.05
PSA:
112.05
HBD:
3.0
HBA:
#RotB:
2.0
Source:
FLUTICASONE FUROATE
(2007)
Small molecule
Glucocorticoid receptor agonist
INHALATION; NASAL
Approved
Asthma; Lung Diseases, Obstructive; Nasal Obstruction; Pulmonary Disease, Chronic Obstructive; Rhinitis, Allergic, Perennial; Rhinitis, Allergic, Seasonal
FLUTICASONE FUROATE
×
Maximum Phase:
4
First Approval:
2007
UNII:
JS86977WNV
Molecule Type:
Small molecule
Molecular Formula:
C27H29F3O6S
Molecular Weight:
538.58
AlogP:
4.93
PSA:
93.81
HBD:
1.0
HBA:
#RotB:
4.0
Source:
SAPROPTERIN DIHYDROCHLORIDE
(2007)
Small molecule
Phenylalanine-4-hydroxylase activator
ORAL; UNKNOWN
Approved
Phenylketonurias
SAPROPTERIN DIHYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2007
UNII:
RG277LF5B3
Molecule Type:
Small molecule
Molecular Formula:
C9H17Cl2N5O3
Molecular Weight:
314.17
AlogP:
-1.29
PSA:
136.55
HBD:
6.0
HBA:
#RotB:
2.0
Source:
NILOTINIB HYDROCHLORIDE MONOHYDRATE
(2007)
Small molecule
Bcr/Abl fusion protein
Unknown
Approved
Leukemia, Myelogenous, Chronic, BCR-ABL Positive
NILOTINIB HYDROCHLORIDE MONOHYDRATE
×
Maximum Phase:
4
First Approval:
2007
UNII:
5JHU0N1R6K
Molecule Type:
Small molecule
Molecular Formula:
C28H25ClF3N7O2
Molecular Weight:
584.0
AlogP:
6.36
PSA:
97.62
HBD:
2.0
HBA:
#RotB:
6.0
Source:
LAPATINIB
(2007)
Small molecule
Unknown
ORAL
Approved
Neoplasms
LAPATINIB
×
Maximum Phase:
4
First Approval:
2007
UNII:
0VUA21238F
Molecule Type:
Small molecule
Molecular Formula:
C29H26ClFN4O4S
Molecular Weight:
581.07
AlogP:
6.14
PSA:
106.35
HBD:
2.0
HBA:
#RotB:
11.0
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:
RETAPAMULIN
(2007)
Small molecule
70S ribosome inhibitor
Unknown
Approved
Impetigo
RETAPAMULIN
×
Maximum Phase:
4
First Approval:
2007
UNII:
4MG6O8991R
Molecule Type:
Small molecule
Molecular Formula:
C30H47NO4S
Molecular Weight:
517.78
AlogP:
5.25
PSA:
66.84
HBD:
1.0
HBA:
#RotB:
5.0
Source:
RALTEGRAVIR
(2007)
Small molecule
Unknown
ORAL
Approved
Virus Diseases
RALTEGRAVIR
×
Maximum Phase:
4
First Approval:
2007
UNII:
22VKV8053U
Molecule Type:
Small molecule
Molecular Formula:
C20H21FN6O5
Molecular Weight:
444.42
AlogP:
0.91
PSA:
152.24
HBD:
3.0
HBA:
#RotB:
6.0
Source:
AMMONIA SOLUTION, STRONG
(2007)
Small molecule
Unknown
Unknown
Approved
Unknown
AMMONIA SOLUTION, STRONG
×
Maximum Phase:
4
First Approval:
2007
UNII:
5138Q19F1X
Molecule Type:
Small molecule
Molecular Formula:
H3N
Molecular Weight:
17.03
AlogP:
0.16
PSA:
35.0
HBD:
1.0
HBA:
#RotB:
0.0
Source:
SEVELAMER CARBONATE
(2007)
Small molecule
Unknown
ORAL
Approved
Renal Insufficiency, Chronic
SEVELAMER CARBONATE
×
Maximum Phase:
4
First Approval:
2007
UNII:
9YCX42I8IU
Molecule Type:
Small molecule
Molecular Formula:
C7H14ClNO4
Molecular Weight:
211.65
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
LAPATINIB DITOSYLATE
(2007)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
ORAL
Approved
Breast Neoplasms
LAPATINIB DITOSYLATE
×
Maximum Phase:
4
First Approval:
2007
UNII:
G873GX646R
Molecule Type:
Small molecule
Molecular Formula:
C43H44ClFN4O11S3
Molecular Weight:
943.49
AlogP:
6.14
PSA:
106.35
HBD:
2.0
HBA:
#RotB:
11.0
Source:
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