Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01293
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| Drug Name |
Pepstatin A
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| Synonyms |
26305-03-3; 39324-30-6; Ahpatinin C; C34H63N5O9; CCRIS 3603; CHEMBL296588; DSSTox_CID_26095; DSSTox_GSID_46095; DSSTox_RID_81334; FAXGPCHRFPCXOO-LXTPJMTPSA-N; Ia Quinidine; Iboctadekin + rituximab; Iva-Val-Val-Sta-Ala-Sta-OH; MLS002222329; NCGC00161670-06; Pepstatin (VAN); Pepstatin (nonspecific); Pepstatina; Pepstatine; Pepstatinum; UNII-V6Y2T27Q1U; V6Y2T27Q1U
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| Drug Type |
Small molecular drug
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| Indication | Follicular lymphoma [ICD11:2A80] | Preclinical | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C34H63N5O9
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| Canonical SMILES |
CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
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| InChI |
InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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| InChIKey |
FAXGPCHRFPCXOO-LXTPJMTPSA-N
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| CAS Number |
CAS 26305-03-3
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| Pharmaceutical Properties | Molecular Weight | 685.9 | Topological Polar Surface Area | 223 | ||
| Heavy Atom Count | 48 | Rotatable Bond Count | 22 | |||
| Hydrogen Bond Donor Count | 8 | Hydrogen Bond Acceptor Count | 9 | |||
| XLogP |
3
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| PubChem CID | ||||||
| PubChem SID |
584708
,596110
,826106
,829796
,831223
,835624
,7888351
,7979897
,8030793
,11120284
,11120772
,11121260
,11121685
,11122165
,11362754
,11365316
,11367878
,11370779
,11370780
,11373479
,11376040
,11532940
,11693423
,17397905
,22391554
,26681497
,26717873
,26755331
,26755332
,39469856
,46392467
,46393151
,46394382
,46394420
,46488047
,47216569
,47290927
,47662056
,48034869
,48110235
,49683285
,49699079
,50110894
,50110895
,53790185
,57363881
,76985937
,85148375
,85256984
,85261607
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | J Clin Oncol 27:15s, 2009 (suppl, abstr 8566). | |||||
| 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. | |||||
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