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

General Information of Drug (ID: DR3245)
Drug Name
CO-101
Synonyms
methyl 2-(dimethylcarbamoyl)benzoate; 26593-43-1; Phthalamic acid, N,N-dimethyl-, methyl ester; CO 101; BRN 2504723; N,N-Dimethylphthalamic acid methyl ester; N,N-Dimethylphthalamic acid, methyl ester; AC1Q5ZAU; 2-09-00-00601 (Beilstein Handbook Reference); AC1L4V19; CTK4F8203; DTXSID50181156; 2-methoxycarbonyl-N,N-dimethylbenzamide; LS-109082; Benzoic acid,2-[(dimethylamino)carbonyl]-, methyl ester
Indication Pancreatic cancer [ICD11: 2C10] Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 527.6 Topological Polar Surface Area 114
Heavy Atom Count 37 Rotatable Bond Count 19
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
9828310
CAS Number
210829-30-4
TTD Drug ID
D0V0CJ
Formula
C27H43F2N3O5
Canonical SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O
InChI
InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1
InChIKey
HESSNRGIEVBPRB-QDDPNBLJSA-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
Gemcitabine DM015027
60750
Unclear - Unclear 1 [2]
DFdC DM019646 N. A. Unclear - Unclear 2 [2]
DFdCMP DM002088
503015
Unclear - Unclear 3 [2]
DFdU DM019648 N. A. Unclear - Unclear 3 [2]
DFdCDP DM002089
6420157
Unclear - Unclear 4 [2]
DFdUMP DM019647 N. A. Unclear - Unclear 4 [2]
DFdCTP DM002090
130659
Unclear - Unclear 5 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012327 CO-101 Gemcitabine Unclear - Unclear ES [2]
MR012328 Gemcitabine DFdC Unclear - Unclear Unclear [2]
MR012329 DFdC DFdCMP Unclear - Unclear Unclear [2]
MR012333 DFdC DFdU Unclear - Unclear Unclear [2]
MR012330 DFdCMP DFdCDP Unclear - Unclear Unclear [2]
MR012332 DFdCMP DFdUMP Unclear - Unclear Unclear [2]
MR012334 DFdU DFdUMP Unclear - Unclear Unclear [2]
MR012331 DFdCDP DFdCTP Unclear - Unclear Unclear [2]
⏷ Show the Full List of 8 MR(s)
References
1 ClinicalTrials.gov (NCT01233375) Study to Evaluate Efficacy of CO-1.01 as Second Line Therapy for Gemcitabine-Refractory Stage IV Pancreatic Adenocarcinoma. U.S. National Institutes of Health.
2 Phase I study of oral CP-4126, a gemcitabine derivative, in patients with advanced solid tumors

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