Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5914)
Drug Name
Sacituzumab govitecan
Synonyms
hRS7-SN38|Sacituzumab govitecan|Sacituzumab govitecan [USAN]|UNII-M9BYU8XDQ6|hRS 7SN38|Satralizumab linker|IMMU 132|IMMU-132|M9BYU8XDQ6|1491917-83-9|sacituzumab-govitecan|DA64T2C2IO|CYSTEINYL CL2A-SN-38|SN-38 CYSTEINYL CONJUGATE|DTXSID401335985|EX-A4354|GOVITECAN CYSTEINYL CONJUGATE|F82944
Pharmaceutical Properties Molecular Weight 1601.8 Topological Polar Surface Area 498
Heavy Atom Count 113 Rotatable Bond Count 54
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 30
Cross-matching ID
PubChem CID
91668186
Formula
C76H104N12O24S
Canonical SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)C(CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN6C=C(N=N6)CNC(=O)C7CCC(CC7)CN8C(=O)CC(C8=O)SCC(C(=O)O)N)C2=NC9=C1C=C(C=C9)O
InChI
InChI=1S/C76H104N12O24S/c1-3-55-56-37-54(89)16-17-61(56)83-68-57(55)43-87-63(68)38-59-58(71(87)95)45-110-74(99)76(59,4-2)112-75(100)111-44-50-10-14-52(15-11-50)81-70(94)62(7-5-6-18-77)82-66(91)47-109-46-65(90)79-19-21-101-23-25-103-27-29-105-31-33-107-35-36-108-34-32-106-30-28-104-26-24-102-22-20-86-42-53(84-85-86)40-80-69(93)51-12-8-49(9-13-51)41-88-67(92)39-64(72(88)96)113-48-60(78)73(97)98/h10-11,14-17,37-38,42,49,51,60,62,64,89H,3-9,12-13,18-36,39-41,43-48,77-78H2,1-2H3,(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,97,98)/t49?,51?,60-,62-,64?,76-/m0/s1
InChIKey
ULRUOUDIQPERIJ-PQURJYPBSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
SN-38 DM003049
104842
Other reaction - Cleavage 1 [2]
10-O-glucuronyl-SN-38 DM005177 N. A. Conjugation - O-gluccuronidation 2 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013226 Sacituzumab govitecan SN-38 Other reaction - Cleavage Unclear [2]
MR013227 SN-38 10-O-glucuronyl-SN-38 Conjugation - O-gluccuronidation UGT1A1 ... [1]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[1]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[1]
References
1 New Insights into SN-38 Glucuronidation: Evidence for the Important Role of UDP Glucuronosyltransferase 1A9
2 Genetic predisposition to the metabolism of irinotecan (CPT-11). Role of uridine diphosphate glucuronosyltransferase isoform 1A1 in the glucuronidation of its active metabolite (SN-38) in human liver microsomes

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