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

General Information of Drug (ID: DR1862)
Drug Name
NSC-603071
Synonyms
Camptothecin, 9-amino-; (4s)-10-amino-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione; (S)-10-Amino-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 5MB77ICE2Q; 9-AMINO-20(S)-CAMPTOTHECIN; 9-Amino-20-(S)-camptothecin; 9-Amino-camptothecin; 9-Amino-cpt; 9-Aminocamptothecin; 91421-43-1; AK-88555; CHEBI:80755; CHEMBL274070; NSC 603071; NSC-603071; NSC603071; UNII-5MB77ICE2Q
Indication Ovarian cancer [ICD11: 2C73] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 363.4 Topological Polar Surface Area 106
Heavy Atom Count 27 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
72402
PubChem SID
483848 ; 600881 ; 8195177 ; 11408968 ; 12014702 ; 14876953 ; 14876954 ; 26725257 ; 43128571 ; 50028358 ; 57318699 ; 77695393 ; 87560557 ; 96023346 ; 99373552 ; 99432308 ; 103073229 ; 103082936 ; 103170467 ; 103910998 ; 103922005 ; 104352855 ; 117586313 ; 119525751 ; 124796287 ; 124953919 ; 127347071 ; 127903358 ; 135030378 ; 137138142 ; 142371086 ; 152036014 ; 152227690 ; 160809182 ; 162179182 ; 162937855 ; 163374696 ; 164758081 ; 170559265 ; 172860100 ; 174531450 ; 178115205 ; 179151428 ; 184538696 ; 188900245 ; 198973567 ; 223445740 ; 223603491 ; 225031198 ; 226414396
ChEBI ID
CHEBI:80755
CAS Number
91421-43-1
TTD Drug ID
D07UHX
Formula
C20H17N3O4
Canonical SMILES
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O
InChI
1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
InChIKey
FUXVKZWTXQUGMW-FQEVSTJZSA-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
9-Aminocamptothecin metabolite M2 DM002768 N. A. Unclear 1 [2]
9-Aminocamptothecin metabolite M1 DM002769 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001798 NSC-603071 9-Aminocamptothecin metabolite M2 Unclear CYP3A4 ... [2]
MR001797 9-Aminocamptothecin metabolite M2 9-Aminocamptothecin metabolite M1 Unclear CYP3A4 ... [2]
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
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT00001427) A Phase II Trial of 72-Hour Continuous IV Infusion of 9-Aminocamptothecin With G-CSF Support in Patients With Advanced Ovarian Cancer Previously Treated With Paclitaxel and Cisplatin.
2 Cytochrome P450 3A-mediated metabolism of the topoisomerase I inhibitor 9-aminocamptothecin: impact on cancer therapy. Int J Oncol. 2014 Aug;45(2):877-86.

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