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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:6436
CAS Number: 94535-50-9
TTD ID: D08DKA

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.