Details of the Drug

General Information of Drug (ID: DMGTZLW)

Drug Name
Cicletanine
Synonyms
Cicletanine; Cycletanide; Tenstaten; 89943-82-8; Justar; BN-1270; Win-90000; cicletanide; BN 1270; Cicletaninum; Cicletanina; Cicletaninum [Latin]; Cicletanina [Spanish]; Cicletanine [USAN:INN:BAN]; Win 90,000; ACMC-20mckj; ACMC-20mcin; AC1Q3NNY; Cicletanine (USAN/INN); (+-)-BN-1270; AC1L1HZ3; SCHEMBL49794; CHEMBL191886; (R)-(-)-CICLETANINE; CHEBI:135078; Furo[3,4-c]pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-, (S)-; Furo[3,4-c]pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-, (R)-; CVKNDPRBJVBDSS-UHFFFAOYSA-N
Indication
Disease Entry ICD 11 Status REF
Pulmonary arterial hypertension BB01.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 261.7
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H12ClNO2
IUPAC Name
3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
Canonical SMILES
CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl
InChI
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
Cross-matching ID
PubChem CID
54910
ChEBI ID
CHEBI:135078
CAS Number
89943-82-8
DrugBank ID
DB12766
TTD ID
D0K2WK
INTEDE ID
DR0320

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
UDP-glucuronosyltransferase 1A1 (UGT1A1)
Main DME 		DEYGVN4 UD11_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00832507) Study of Cicletanine for Pulmonary Arterial Hypertension (PAH). U.S. National Institutes of Health.
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.