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]
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
ChEBI ID
CHEMBL2440857
CAS Number
1038410-88-6
TTD ID
D0MT1Q
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 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