Details of the Drug

General Information of Drug (ID: DMD0FNH)

Drug Name

KC-399

Synonyms

KC-399; 152661-13-7; 2H-1-Benzopyran-4-carbothioamide,N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-; LKUDLWNQCZSCQW-UHFFFAOYSA-N; ACMC-20n6i6; SCHEMBL8314846; CHEMBL291410; CTK4C7529

Indication

Disease Entry	ICD 11	Status	REF
Alopecia	ED70	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

353.3

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C15H13F2N3O3S
IUPAC Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitrochromene-4-carbothioamide
Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=CC(O2)(CF)CF)C(=S)NCCC#N
InChI: InChI=1S/C15H13F2N3O3S/c16-8-15(9-17)7-12(14(24)19-5-1-4-18)11-6-10(20(21)22)2-3-13(11)23-15/h2-3,6-7H,1,5,8-9H2,(H,19,24)
InChIKey: LKUDLWNQCZSCQW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9863361
TTD ID: D0X9FO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Opener	[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 800002834)
2	Action of KC-399, a newly synthesized potassium channel opener, on mechanical activity and 86Rb efflux in rat aorta. J Cardiovasc Pharmacol. 1994 Feb;23(2):220-6.