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

General Information of Drug (ID: DR1891)
Drug Name
YKP-509
Synonyms
Carisbamate; Carisbamate (USAN); Carisbamate [USAN:INN]; Comfyde; JNJ-10234094; OLBWFRRUHYQABZ-MRVPVSSYSA-N; P7725I9V3Z; RWJ 333369; RWJ-333369; SB18906; SCHEMBL729003; YKP-509; ZINC30691363; (+)-(2S)-2-(2-chlorophenyl)-2-hydroxyethyl carbamate; (S)-2-carbamoyloxy-1-o-chlorophenylethanol; (S)-Carisbamate; 194085-75-1; AC1OCFHA; API0009416; CHEBI:135966; CHEMBL2087003; D06573; DB12338; DTXSID70426076; FT-0664383; S-2-O-Carbamoyl-1-o-chlorophenyl-ethanol; UNII-P7725I9V3Z; X3698; [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate
Indication Dyskinesia [ICD11: 8A02] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 215.63 Topological Polar Surface Area 72.6
Heavy Atom Count 14 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
6918474
PubChem SID
12015336 ; 14818877 ; 15172026 ; 17194912 ; 43529844 ; 47208229 ; 57371948 ; 79488142 ; 114788030 ; 128824565 ; 134223530 ; 134339232 ; 135213416 ; 140097639 ; 160670319 ; 164837840 ; 184528548 ; 198974092 ; 198991959 ; 223366886 ; 225025837 ; 227016974 ; 247473631 ; 252552117
ChEBI ID
CHEBI:135966
CAS Number
194085-75-1
TTD Drug ID
D0S0FZ
Formula
C9H10ClNO3
Canonical SMILES
C1=CC=C(C(=C1)C(COC(=O)N)O)Cl
InChI
1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1
InChIKey
OLBWFRRUHYQABZ-MRVPVSSYSA-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
(R)-Carisbamate DM006036
9942577
Unclear 1 [2]
Carisbamate glucuronide DM006038
71314564
Conjugation - Conjugation 1 [2]
R357968 DM006039 N. A. Unclear 1 [2]
R370232 DM006040 N. A. Unclear 1 [4]
(R)-carisbamate glucuronide DM006037
71314563
Conjugation - Conjugation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006499 YKP-509 (R)-Carisbamate Unclear Unclear [2]
MR006501 YKP-509 Carisbamate glucuronide Conjugation - Conjugation UGT1A1 [2]
MR006502 YKP-509 R357968 Unclear ADH1B [2]
MR006503 YKP-509 R370232 Unclear ADH1B [4]
MR006500 (R)-Carisbamate (R)-carisbamate glucuronide Conjugation - Conjugation UGT1A1 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alcohol dehydrogenase class-I beta (ADH1B) DME0128 Homo sapiens
ADH1B_HUMAN
1.1.1.105
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
References
1 Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
2 Pharmacokinetics of carisbamate (RWJ-333369) in healthy Japanese and Western subjects
3 Carisbamate addon therapy for drugresistant partial epilepsy. The Cochrane Library. John Wiley Sons, Ltd, 2016.
4 Bioactivity and metabolism of trans-resveratrol orally administered to Wistar rats

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