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

General Information of Drug (ID: DR0281)
Drug Name
Carteolol hydrochloride
Synonyms
Carbonolol; Carteolol HCl; EINECS 257-415-7; Endak; Endak hydrochloride; Endak mite; Mikelan; NSC 300906; OPC 1085; OPC-1085; Teoptic; carteolol hydrochloride; dl-Carteolol Hydrochloride; 5-(2-Hydroxy-3-tert-butylamino)propoxy-3,4-dihydrocarbostyril hydrochloride; 5-(3-tert-Butylamino-2-hydroxy)propoxy-3,4-dihydrocarbostyril hydrochloride; 5-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-quinolinone Hydrochloride; 51781-21-6; Abbott 43326; Abbott-43326; Arteoptic
Indication Glaucoma [ICD11: 9C61] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 328.83 Topological Polar Surface Area 70.6
Heavy Atom Count 22 Rotatable Bond Count 6
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
40127
ChEBI ID
CHEBI:3438
CAS Number
51781-21-6
TTD Drug ID
D03GCJ
Formula
C16H25ClN2O3
Canonical SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl
InChI
1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H
InChIKey
FYBXRCFPOTXTJF-UHFFFAOYSA-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
8-hydroxycarteolol DM000734
124688
Oxidation - 8-Hydroxylation 1 [3]
5,8-Dihydroxy-3,4-dihydrocarbostyril DM000736
151565
Unclear 2 [3]
Dihydroxycarteolol DM000735 N. A. Oxidation - Hydroxylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002592 Carteolol hydrochloride 8-hydroxycarteolol Oxidation - 8-Hydroxylation CYP2D6 [3]
MR002591 8-hydroxycarteolol Dihydroxycarteolol Oxidation - Hydroxylation Unclear [3]
MR002593 8-hydroxycarteolol 5,8-Dihydroxy-3,4-dihydrocarbostyril Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D1(Cyp2d1) DMEN888 .
CP2D1_RAT
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
References
1 Carteolol Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Involvement of CYP2D1 in the metabolism of carteolol by male rat liver microsomes Xenobiotica. 1997 Nov;27(11):1121-9. doi: 10.1080/004982597239886.
3 Involvement of CYP2D1 in the metabolism of carteolol by male rat liver microsomes. Xenobiotica. 1997 Nov;27(11):1121-9.

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