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

General Information of Drug (ID: DR4109)
Drug Name
TP-1287
Prodrug Info TP-1287 is the prodrug of Camptothecin
Synonyms UNII-7MPP85IIJ3; 7MPP85IIJ3; CHEMBL4594423; SCHEMBL18251861; 2044686-42-0; 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5-hydroxy-8-((3S,4R)-3-hydroxy-1-methyl-4-piperidinyl)-7-(phosphonooxy)-
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 481.8 Topological Polar Surface Area 137
Heavy Atom Count 32 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
124083048
CAS Number
2044686-42-0
TTD Drug ID
D2GJ4P
Formula
C21H21ClNO8P
Canonical SMILES
CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)OP(=O)(O)O
InChI
InChI=1S/C21H21ClNO8P/c1-23-7-6-12(16(26)10-23)19-18(31-32(27,28)29)9-15(25)20-14(24)8-17(30-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,16,25-26H,6-7,10H2,1H3,(H2,27,28,29)/t12-,16+/m0/s1
InChIKey
YRNFLVUMZIRYKY-BLLLJJGKSA-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
Camptothecin DM020043
24360
Hydrolysis - Hydrolyzation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR014196 TP-1287 Alvocidib Hydrolysis - Hydrolyzation Pase [2]
References
1 ClinicalTrials.gov (NCT03604783) Phase 1, First-in-human Study of Oral TP-1287 in Patients With Advanced Solid Tumors. U.S. National Institutes of Health.
2 Clinicaltrials:TP-1287

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