Details of the Drug

General Information of Drug (ID: DMGK7U5)

Drug Name
BX-201
Synonyms BX-201; indolinone based inhibitor, 3l; CHEMBL442229; SCHEMBL5728132; BDBM16981
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 268.27
Topological Polar Surface Area (xlogp) 0.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H12N4O2
IUPAC Name
[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea
Canonical SMILES
C1=CNC(=C1)/C=C\\2/C3=C(C=CC(=C3)NC(=O)N)NC2=O
InChI
InChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-12-10(7-9)11(13(19)18-12)6-8-2-1-5-16-8/h1-7,16H,(H,18,19)(H3,15,17,20)/b11-6-
InChIKey
SOVOJYOIAXOTIM-WDZFZDKYSA-N
Cross-matching ID
PubChem CID
11311693
TTD ID
D0V6GX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PDK-1 messenger RNA (PDK-1 mRNA) TTYMGWX PDPK1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3814-8.
2 Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7.
3 US patent application no. 6,124,272, Antisense modulation of PDK-1 expression.