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]
ATC Code
: Cicletanine
C03BK: Sulfonamides, combinations with other drugs
C03B: LOW-CEILING DIURETICS, EXCL. THIAZIDES
C03: DIURETICS
C: CARDIOVASCULAR SYSTEM
C03BX03: Cicletanine
C03BX: Other low-ceiling diuretics
C03B: LOW-CEILING DIURETICS, EXCL. THIAZIDES
C03: DIURETICS
C: CARDIOVASCULAR SYSTEM
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
CHEMBL135078
CAS Number
89943-82-8
UNII
CHG7QC509W
DrugBank ID
DB12766
TTD ID
D0K2WK
INTEDE ID
DR0320
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.