Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM020046)
DM Name
Nortilidine
Synonyms
BMS-830216|ISL723GVQ8|1197420-06-6|UNII-ISL723GVQ8|6-(4-Chlorophenyl)-3-(4-((2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy)-3-methoxyphenyl)thieno(3,2-d)pyrimidin-4(3H)-one|Thieno(3,2-d)pyrimidin-4(3H)-one, 6-(4-chlorophenyl)-3-(4-((2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy)-3-methoxyphenyl)-|6-(4-Chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4(3H)-one|Thieno[3,2-d]pyrimidin-4(3H)-one, 6-(4-chlorophenyl)-3-[4-[(2R)-2-cyclopropyl-2-(phosphonooxy)ethoxy]-3-methoxyphenyl]-|(R)-2-(4-(6-(4-Chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-2-methoxyphenoxy)-1-cyclopropylethyl dihydrogen phosphate|SCHEMBL2278190|CHEMBL2147475|YDTUJCNTIMWHPJ-NRFANRHFSA-N|DTXSID301106422|DB14787|(r)-2-(4-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4h)-yl)-2-methoxyphenyloxy)-1-cyclopropylethyl dihydrogen phosphate
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 548.9 Topological Polar Surface Area 146
Heavy Atom Count 36 Rotatable Bond Count 9
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
PubChem CID
162321
Complexity
865
Formula
C24H22ClN2O7PS
Canonical SMILES
COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OCC(C5CC5)OP(=O)(O)O
InChI
InChI=1S/C24H22ClN2O7PS/c1-32-20-10-17(8-9-19(20)33-12-21(14-2-3-14)34-35(29,30)31)27-13-26-18-11-22(36-23(18)24(27)28)15-4-6-16(25)7-5-15/h4-11,13-14,21H,2-3,12H2,1H3,(H2,29,30,31)/t21-/m0/s1
InChIKey
YDTUJCNTIMWHPJ-NRFANRHFSA-N
IUPAC name
[(1R)-2-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] dihydrogen phosphate
Full List of Drug-Metabolizing Enzyme (DME) Related to This DM
DME(s) Producing This DM through Metabolism
DME Name DME ID Reactant Reaction Related Drug REF
Esterases (ES) DMEN229
KAR5585
Hydrolysis - Hydrolyzation KAR5585 [1]
Full List of Drug(s) That Produce This DM By Metabolism
KAR5585 DR4327 Phase 1 Pulmonary hypertension
References
1 Tryptophan hydroxylase 1 Inhibition Impacts Pulmonary Vascular Remodeling in Two Rat Models of Pulmonary Hypertension

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