Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM020051)
DM Name
Colterol
Synonyms
Kinase inhibitor-1|Tarlox-TKI|2135696-72-7|TH-4000E|(E)-N-[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)but-2-enamide|(2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enamide|MJ8D2M76WN|GTPL9410|CHEMBL4802235|SCHEMBL11903013|SCHEMBL11903016|RN4000E|TH4000E|QBACGOWRJDBXSG-ONEGZZNKSA-N|EX-A3689|RN-4000E|AKOS040733533|HY-43533|MS-28478|CS-0083039|(2E)-N-[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)-2-butenamide|(2E)-N-[4-[(3-Bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)-2-butenamide|2-Butenamide, N-[4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)-, (2E)-
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 461.7 Topological Polar Surface Area 83
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
PubChem CID
25104
Complexity
551
Formula
C19H18BrClN6O
Canonical SMILES
CN(C)CC=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Br
InChI
InChI=1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+
InChIKey
QBACGOWRJDBXSG-ONEGZZNKSA-N
IUPAC name
(E)-N-[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)but-2-enamide
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
Alkaline phosphatase (ALPL) DME0079
Debio 1450
Hydrolysis - Hydrolysis Afabicin [1]
Full List of Drug(s) That Produce This DM By Metabolism
Afabicin DR4690 Phase 2 Acute bacterial skin infection
References
1 Prodrugs - Recent approvals and a glimpse of the pipeline

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