Details of the Drug

General Information of Drug (ID: DMDNA23)

Drug Name
SU-6689
Synonyms SU-6689; CHEMBL426078; Indolinone based inhibitor, 2f; SCHEMBL5203211; BDBM17028
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) 254.28
Topological Polar Surface Area (xlogp) 2.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H14N2O2
IUPAC Name
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1H-indol-2-one
Canonical SMILES
CC1=CC(=C(N1)/C=C\\2/C3=C(C=CC(=C3)O)NC2=O)C
InChI
InChI=1S/C15H14N2O2/c1-8-5-9(2)16-14(8)7-12-11-6-10(18)3-4-13(11)17-15(12)19/h3-7,16,18H,1-2H3,(H,17,19)/b12-7-
InChIKey
GUXYHZUGDWFOBA-GHXNOFRVSA-N
Cross-matching ID
PubChem CID
10131254
TTD ID
D09EAE

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.