Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01324
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| Drug Name |
Carfilzomib
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| Synonyms |
(S)-4-methyl-N-((S)-1-(((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide; 72X6E3J5AR; 868540-17-4; CHEBI:65347; CHEMBL451887; Carfilzomib; Carfilzomib (PR-171); DSSTox_CID_28616; DSSTox_GSID_48690; DSSTox_RID_82886; Kyprolis; N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-L-phenylalaninamide; NCGC00249613-01; PR-171; UNII-72X6E3J5AR
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| Drug Type |
Small molecular drug
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| Indication | Multiple myeloma [ICD11:2A83] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C40H57N5O7
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| Canonical SMILES |
CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)CN4CCOCC4
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| InChI |
InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
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| InChIKey |
BLMPQMFVWMYDKT-NZTKNTHTSA-N
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| CAS Number |
CAS 868540-17-4
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| Pharmaceutical Properties | Molecular Weight | 719.9 | Topological Polar Surface Area | 159 | ||
| Heavy Atom Count | 52 | Rotatable Bond Count | 20 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
4.7
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| PubChem CID | ||||||
| PubChem SID |
16658822
,16812122
,23677375
,42698607
,79448448
,92309411
,96025563
,103652542
,104120353
,124360326
,124955654
,126666807
,135195928
,137232018
,139716850
,144206630
,152159713
,160644888
,162012022
,162220763
,163423918
,163620703
,163686020
,164041848
,170466878
,172918803
,174006371
,174531085
,175266683
,175427135
,178103992
,186014508
,189158922
,198993058
,223377621
,223683622
,223704692
,224740444
,226463473
,242082461
,248344031
,249814475
,251970960
,252451821
,252553657
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| ChEBI ID |
ChEBI:65347
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Carfilzomib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Identification of an ABCB1 (P-glycoprotein)-positive carfilzomib-resistant myeloma subpopulation by the pluripotent stem cell fluorescent dye CDy1. Am J Hematol. 2013 Apr;88(4):265-72. | |||||
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