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

General Information of Drug (ID: DR2933)
Drug Name
TNP-470
Synonyms
tnp 470; CCRIS 8049; C19H28ClNO6; O-chloroacetylcarbamoyl fumagillol; MSHZHSPISPJWHW-HUTWWKRSSA-N; Carbamic acid, (chloroacetyl)-, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)oct-6-yl ester, (3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 401.9 Topological Polar Surface Area 89.7
Heavy Atom Count 27 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
369976
ChEBI ID
CHEBI:90748
CAS Number
129298-91-5
TTD Drug ID
D09OAQ
Formula
C19H28ClNO6
Canonical SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C
InChI
InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
InChIKey
MSHZHSPISPJWHW-PVDLLORBSA-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
TNP-470 Metabolite MIV DM017825 N. A. Unclear - Unclear 1 [3]
TNP-470 Metabolite MII DM017826 N. A. Unclear - Unclear 2 [2]
TNP-470 Metabolite MIII DM017827 N. A. Unclear - Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013003 TNP-470 TNP-470 Metabolite MIV Unclear - Unclear AMS ... [3]
MR013004 TNP-470 Metabolite MIV TNP-470 Metabolite MII Unclear - Unclear EPHX1 [2]
MR013005 TNP-470 Metabolite MII TNP-470 Metabolite MIII Unclear - Unclear UGT [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Epoxide hydrolase 1 (EPHX1) DME0623 Homo sapiens
HYEP_HUMAN
3.3.2.9
[2]
Esterases (ES) DMEN229 Homo sapiens Not Available Not Available [3]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001587)
2 Phase I dose escalation pharmacokinetics of O-(chloroacetylcarbamoyl) fumagillol (TNP-470) and its metabolites in AIDS patients with Kaposi's sarcoma
3 Pharmacokinetics and metabolism of O-(chloroacetyl-carbamoyl) fumagillol (TNP-470, AGM-1470) in rhesus monkeys

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