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

General Information of Drug (ID: DR2115)
Drug Name
FT-0654944
Synonyms
Nicotinate; Nicotinat; Pyridine-3-carboxylate; 3-pyridinecarboxylate; 9195-EP2269977A2; 9195-EP2277876A1; 9195-EP2280010A2; 9195-EP2292227A2; 9195-EP2292614A1; PVNIIMVLHYAWGP-UHFFFAOYSA-M; ZB000413; nico-400-; 9195-EP2295426A1; 9195-EP2295427A1; 9195-EP2295437A1; 9195-EP2295550A2; 9195-EP2305666A1; 9195-EP2308812A2; 9195-EP2308861A1; 9195-EP2308875A1; 9195-EP2311831A1; 9195-EP2311837A1; 9195-EP2314295A1; 9195-EP2314584A1; 9195-EP2316829A1; 9195-EP2316835A1; 9195-EP2316836A1; 9195-EP2374454A1; AC1L1AD2; AC1Q22CQ; CHEBI:32544; FT-0654944
Indication Vitamin deficiency [ICD11: 5B55] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 122.1 Topological Polar Surface Area 53
Heavy Atom Count 9 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
937
ChEBI ID
CHEBI:32544
CAS Number
59-67-6
TTD Drug ID
D0N0ES
Formula
C6H4NO2-
Canonical SMILES
C1=CC(=CN=C1)C(=O)O
InChI
1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
InChIKey
PVNIIMVLHYAWGP-UHFFFAOYSA-M
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
Unclear DM009999 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006970 FT-0654944 Unclear Unclear CD38 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cyclic ADP-ribose hydrolase 1 (CD38) DME0538 Homo sapiens
CD38_HUMAN
3.2.2.6
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Cyclic ADP-ribose hydrolase 1 (CD38) DME0538 Km = 5 microM
CD38_HUMAN
[2]
References
1 MedlinePlus database: Niacin.
2 ADP-ribosyl cyclase and CD38 catalyze the synthesis of a calcium-mobilizing metabolite from NADP. J Biol Chem. 1995 Dec 22;270(51):30327-33.

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