Details of the Drug

General Information of Drug (ID: DMZCVD7)

Drug Name

K-201

Synonyms

DKKLXCRMAXNIJF-UHFFFAOYSA-N; UNII-0I621Y6R4Q; K201; 0I621Y6R4Q; 1038410-88-6; K 201; SCHEMBL194018; CHEMBL2440857; DTXSID90146108; K-201, Moberg; Dermatological drug combination (kaprolac, atopic dermatitis), Moberg; Urea + PEG/propylene glycol formulation (atopic dermatitis), Moberg; JTV 519

Indication

Disease Entry	ICD 11	Status	REF
Atopic dermatitis	EA80	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

461.1

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C25H33ClN2O2S
IUPAC Name: 3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one;hydrochloride
Canonical SMILES: COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4.Cl
InChI: InChI=1S/C25H32N2O2S.ClH/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20;/h2-8,18,21H,9-17,19H2,1H3;1H
InChIKey: DKKLXCRMAXNIJF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9868902
CAS Number: 1038410-88-6
TTD ID: D0MT1Q

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	ClinicalTrials.gov (NCT01067833) Phase 2 Study of Oral K201 for Prevention of AF Recurrence. U.S. National Institutes of Health.
2	Cardiac ryanodine receptor in metabolic syndrome: is JTV519 (K201) future therapy