Details of the Drug

General Information of Drug (ID: DMNS4TK)

Drug Name
Levcromakalim
Synonyms
Levcromakalim; Lemakalim; Cromakalim; (-)-Cromakalim; 94535-50-9; Levcromakelim; BRL 38227; BRL-38227; UNII-RW7PN4BLDJ; RW7PN4BLDJ; CHEMBL100; BRN 3622889; MLS000069770; CHEBI:6436; Cromakalime [French]; Cromakalimum [Latin]; Cromakalim, (3S-trans)-Isomer; SMR000058880; (3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-chromancarbonitrile; DSSTox_RID_81051; DSSTox_CID_25677; DSSTox_GSID_45677; 94470-67-4; Cromakalimum; Cromakalime; BRL-34915; BRL 34915; 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-o
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Discontinued in Preregistration [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 286.33
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H18N2O3
IUPAC Name
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
Canonical SMILES
CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C
InChI
InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1
InChIKey
TVZCRIROJQEVOT-CABCVRRESA-N
Cross-matching ID
PubChem CID
93504
ChEBI ID
CHEMBL100
CAS Number
94535-50-9
TTD ID
D08DKA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000036)
2 The potassium channel opener levcromakalim causes expansive remodelling of experimental vein grafts. J Vasc Surg. 2006 Jul;44(1):159-65.