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

General Information of Drug (ID: DR3238)
Drug Name
AR-67
Synonyms
AR-67; Silatecan; 220913-32-6; DB-67; UNII-3YEA04NV6H; 3YEA04NV6H; DB67; AR67; AR 67; (20S)-7-t-Butyldimethylsilyl-10-hydroxycamptothecin; NCI60_038363; C26H30N2O5Si; SCHEMBL1266162; CHEMBL412309; GTPL8919; DTXSID00176592; DB 67; BCP19768; 7555AD; NSC708298; ZINC170020689; AKOS030627314; DB12384; NSC-708298; compound 14 [PMID:11052802]; KB-74723; Z3398; Z-3160; 1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 11-((1,1-dimethylethyl)dimethylsilyl)-4-ethyl-4,9-dihydroxy-, (4S)-
Indication Brain cancer [ICD11: 2A00] Phase 2 [1]
Myelodysplastic syndrome [ICD11: ICD11: 2A37] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 478.6 Topological Polar Surface Area 100
Heavy Atom Count 34 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
6712744
CAS Number
220913-32-6
TTD Drug ID
D0M6BA
Formula
C26H30N2O5Si
Canonical SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1
InChIKey
XUSKJHCMMWAAHV-SANMLTNESA-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
AR-67 glucuronides DM019107 N. A. Unclear - Unclear 1 [3]
AR-67 hypothesize DM019108 N. A. Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011560 AR-67 AR-67 glucuronides Unclear - Unclear UGT1A1 ... [3]
MR011561 AR-67 AR-67 hypothesize Unclear - Unclear CYP3A4 ... [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[3]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[3]
⏷ Show the Full List of 7  DME(s)
References
1 ClinicalTrials.gov (NCT01124539) Study of AR-67 in Adult Patients With Recurrence of Glioblastoma Multiforme (GBM) or Gliosarcoma. U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT01124539) Study of AR-67 in Adult Patients With Recurrence of Glioblastoma Multiforme (GBM) or Gliosarcoma. U.S. National Institutes of Health.
3 Metabolic pathways of the camptothecin analog AR-67

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