Details of the Drug

General Information of Drug (ID: DMZPUSO)

Drug Name
PMID24900749C1a
Synonyms GTPL8128; BDBM50437434
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 361.4
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H19N7O
IUPAC Name
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
Canonical SMILES
CC1=C(C=C(C=C1)NC2=NC3=C(C=NN3C(=C2)NC4CC4)C#N)NC(=O)C
InChI
InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)
InChIKey
GDSQVLMYYCNAGP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72163809
TTD ID
D04TPA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Casein kinase II alpha (CSNK2A1) TTER6YH CSK21_HUMAN Inhibitor [1]
Dual-specificity tyrosine-phosphorylation regulated kinase 3 (DYRK3) TTV4EX0 DYRK3_HUMAN Inhibitor [1]
Homeodomain interacting protein kinase 2 (HIPK2) TTOB49C HIPK2_HUMAN Inhibitor [1]
PIM-3 protein kinase (PIM3) TTCGOIN PIM3_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
Casein kinase II alpha (CSNK2A1) DTT CSNK2A1 6.82E-04 0.29 2.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo. ACS Med Chem Lett. 2013 Jul 3;4(8):800-5.
2 Tricyclic compounds for use as kinase inhibitors. US9682991.
3 Substituted pyrido[2,3-d]pyrimidin-7(8H)-ones and therapeutic uses thereof. US8889696.
4 PIM kinase inhibitors and methods of their use. US8829193.
5 Azole compounds as PIM inhibitors. US9321756.
6 Bicyclic aromatic carboxamide compounds useful as Pim kinase inhibitors. US9580418.
7 Pyrrolo[2,3-a] carbazoles and use thereof as PIM kinase inhibitors. US8481586.
8 5-azaindazole compounds and methods of use. US9434725.
9 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use. US9573943.
10 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
11 Synthesis and protein kinase C inhibitory activities of acyclic balanol analogs that are highly selective for protein kinase C over protein kinase A. J Med Chem. 1996 Dec 20;39(26):5215-27.
12 Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid. Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3.
13 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006 Nov 2;49(22):6500-9.
14 Adenosine-5'-carboxylic acid peptidyl derivatives as inhibitors of protein kinases. Bioorg Med Chem Lett. 1999 May 17;9(10):1447-52.
15 CK2alpha and CK2alpha' subunits differ in their sensitivity to 4,5,6,7-tetrabromo- and 4,5,6,7-tetraiodo-1H-benzimidazole derivatives. Eur J Med Chem. 2012 Jan;47(1):345-50.
16 Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.Expert Opin Ther Pat. 2017 Nov;27(11):1183-1199.