Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01425
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| Drug Name |
Ramosetron
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| Synonyms |
132036-88-5; UNII-7ZRO0SC54Y; Ramosetron [INN]; 7ZRO0SC54Y; CHEMBL1643895; Ramosetron (INN); (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone; Nor-YM 060; SCHEMBL16701; GTPL2301; DTXSID0043842; NTHPAPBPFQJABD-LLVKDONJSA-N; MolPort-019-991-383; CHEBI:135156; ZINC5116719; AC1L3355; BDBM50334454; 8235AH; AKOS015896003; SB19072; DB09290; SC-92398; AJ-53160; LS-187182; TL8000762; R-146; FT-0651831; D08466; A806353; (-)-(R)-1-Methylindol-3-yl-4,5,6,7-tetrahydro-5-benzimidazolyl ketone; Nasea (TN); YM060
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| Drug Type |
Small molecular drug
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| Indication | Irritable bowel syndrome [ICD11:DD91.0] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C17H17N3O
|
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| Canonical SMILES |
CN1C=C(C2=CC=CC=C21)C(=O)C3CCC4=C(C3)NC=N4
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| InChI |
InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
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| InChIKey |
NTHPAPBPFQJABD-LLVKDONJSA-N
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| CAS Number |
CAS 132907-72-3
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| Pharmaceutical Properties | Molecular Weight | 279.34 | Topological Polar Surface Area | 50.7 | ||
| Heavy Atom Count | 21 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
2.2
|
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| PubChem CID | ||||||
| PubChem SID |
14824418
,14848693
,44436913
,49830772
,50070718
,50112691
,71879502
,79053930
,96025152
,104380246
,124974479
,125084556
,128751655
,131297527
,135141836
,135650885
,137446772
,140430812
,152035422
,172659137
,179149824
,184546127
,198983023
,223562331
,224977577
,226406853
,241031501
,251912291
,251916599
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| ChEBI ID |
CHEBI:135156
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | National Center for Advancing Translational Science-Inxight: drug (7ZRO0SC54Y) | |||||
| 2 | Contribution of P-glycoprotein to efflux of ramosetron, a 5-HT3 receptor antagonist, across the blood-brain barrier. J Pharm Pharmacol. 2002 Aug;54(8):1055-63. | |||||
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