Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00619
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| Drug Name |
Delavirdine
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| Synonyms |
(1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE; (N-[2-[4-[3-(1-methylethylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonamide); 1-(3-((1-Methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine; 1-(5-Methanesulphonamido)-1H-indol-2-yl-carbonyl)-4-[3-(isopropylamino)-2-pyridinyl]piperaz; 2-(4-(5-Methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine; BHAP-U 90152; DELAVIRDINE MESYLATE; DLV; Delavirdine (*Mesylate salt*); Delavirdine (INN); Delavirdine [INN]; Delavirdine(U-90152) & .a.IFN; N-(2-(1-(3-(isopropylamino)pyridin-2-yl)piperazine-4-carbonyl)-1H-indol-5-yl)methanesulfonamide; N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide; N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide; N-{2-[(4-{3-[(1-methylethyl)amino]pyridin-2-yl}piperazin-1-yl)carbonyl]-1H-indol-5-yl}methanesulfonamide; N-{2-[4-(3-Isopropylamino-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-yl}-methanesulfonamide; PNU-90152-T; Piperazine, 1-[3-[(1-methylethyl)amino]-2-pyridinyl]-4-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-& alpha-Interferon; Rescriptor; Rescriptor (TM);Rescriptor (TN); SPP; U 90152; U-90152; U-90152S; U90152S (*Mesylate salt*)
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| Drug Type |
Small molecular drug
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| Indication | Human immunodeficiency virus infection [ICD11:1C62.Z] | Approved | [1] | |||
| Therapeutic Class |
Anti-HIV Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C22H28N6O3S
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| Canonical SMILES |
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
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| InChI |
InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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| InChIKey |
WHBIGIKBNXZKFE-UHFFFAOYSA-N
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| CAS Number |
CAS 136817-59-9
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| Pharmaceutical Properties | Molecular Weight | 456.6 | Topological Polar Surface Area | 119 | ||
| Heavy Atom Count | 32 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
2.4
|
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| PubChem CID | ||||||
| PubChem SID |
103181784
,104309776
,124893554
,125822848
,126653075
,126666446
,129580604
,134337503
,134358669
,135022528
,137006542
,142315847
,144206190
,14857955
,152104495
,160964049
,163122160
,163693522
,164788294
,170464664
,172913431
,172919202
,175267271
,176484193
,179149870
,184546189
,196107220
,198992860
,204376689
,29224663
,46508878
,4700507
,48415852
,50064377
,50113278
,50860318
,53788602
,57322873
,57580870
,600721
,633105
,7890564
,7979035
,8031779
,8153462
,87350530
,9156
,92308796
,96024480
,99445034
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| ChEBI ID |
CHEBI:119573
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [3] | ||
| References | ||||||
| 1 | Delavirdine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64. | |||||
| 3 | The transport of anti-HIV drugs across blood-CNS interfaces: summary of current knowledge and recommendations for further research. Antiviral Res. 2009 May;82(2):A99-109. | |||||
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