Details of the Drug

General Information of Drug (ID: DMKN76P)

Drug Name
GSK-1564023A
Synonyms CHEMBL1093774; GSK-1564023A; SCHEMBL17963371; GSK1564023A
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) 409.9
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H20ClN5O2
IUPAC Name
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
Canonical SMILES
CC1=C(C(=NO1)C)C2=CC=C(C=C2)CNC(=O)C3=CN=C4C(=C3Cl)C(=NN4C)C
InChI
InChI=1S/C21H20ClN5O2/c1-11-18-19(22)16(10-23-20(18)27(4)25-11)21(28)24-9-14-5-7-15(8-6-14)17-12(2)26-29-13(17)3/h5-8,10H,9H2,1-4H3,(H,24,28)
InChIKey
QWZQPWUWGYGVOC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46830196
TTD ID
D01NVD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Progesterone receptor (PGR) TTUV8G9 PRGR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Progesterone receptor (PGR) DTT PGR 3.26E-38 -3.79 -2.5
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist. Bioorg Med Chem Lett. 2010 Apr 1;20(7):2340-3.