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

General Information of Drug (ID: DR0320)
Drug Name
BN-1270
Synonyms
Cicletanina; Cicletanine; Cicletanina [Spanish]; Cicletanine (USAN/INN); Cicletanine [USAN:INN:BAN]; Cicletaninum; Cicletaninum [Latin]; Cycletanide; Justar; Tenstaten; Win 90,000; Win-90000; cicletanide; (+-)-BN-1270; (R)-(-)-CICLETANINE; 89943-82-8; AC1L1HZ3; AC1Q3NNY; ACMC-20mcin; ACMC-20mckj; BN 1270; BN-1270; CHEBI:135078; CHEMBL191886; CVKNDPRBJVBDSS-UHFFFAOYSA-N; Furo[3,4-c]pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-, (R)-; Furo[3,4-c]pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-, (S)-; SCHEMBL49794
Indication Pulmonary hypertension [ICD11: BB01] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 261.7 Topological Polar Surface Area 42.4
Heavy Atom Count 18 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
54910
PubChem SID
8183856 ; 12012936 ; 15095082 ; 17397623 ; 34718846 ; 50065342 ; 50716117 ; 57313686 ; 103463337 ; 104306156 ; 117463120 ; 127683576 ; 134222740 ; 135028796 ; 137115683 ; 140515287 ; 142970971 ; 162364168 ; 162364236 ; 179151255 ; 216265377 ; 224354655 ; 226433442 ; 249757690
ChEBI ID
CHEBI:135078
CAS Number
89943-82-8
TTD Drug ID
D0K2WK
Formula
C14H12ClNO2
Canonical SMILES
CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl
InChI
1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3
InChIKey
CVKNDPRBJVBDSS-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
Glucuronidation of ( - )-cicletanine DM006777 N. A. Conjugation - Glucuronidatioin 1 [2]
Glucuronidation of (+)-cicletanine DM006778 N. A. Conjugation - Glucuronidatioin 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007326 BN-1270 Glucuronidation of ( - )-cicletanine Conjugation - Glucuronidatioin UGT2B7 [2]
MR007327 BN-1270 Glucuronidation of (+)-cicletanine Conjugation - Glucuronidatioin UGT1A6 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Homo sapiens
UD16_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT00832507) Study of Cicletanine for Pulmonary Arterial Hypertension (PAH).
2 Induction and inhibition of cicletanine metabolism in cultured hepatocytes and liver microsomes from rats. Fundam Clin Pharmacol. 2000 Sep-Oct;14(5):509-18.

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