Details of the Drug

General Information of Drug (ID: DMSYD3X)

Drug Name
US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
Synonyms SCHEMBL686607; CHEMBL3680986; BDBM123923; US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 310.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H14N6S
IUPAC Name
4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine
Canonical SMILES
C1=CC=C2C(=C1)N=C(S2)C3=C(NN=C3)NCCC4=CN=CN4
InChI
InChI=1S/C15H14N6S/c1-2-4-13-12(3-1)20-15(22-13)11-8-19-21-14(11)17-6-5-10-7-16-9-18-10/h1-4,7-9H,5-6H2,(H,16,18)(H2,17,19,21)
InChIKey
SKFIGKZRFZMUKR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
66768033
ChEBI ID
CHEMBL3680986
TTD ID
D0FL7J
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Integrin-linked protein kinase 1 (ILK) TT7ALZG ILK_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents. US8754233.