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Compound Detail

CHEMBL2006567

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CC(=O)Nc1cc(N)c(C#N)c(-c2ccsc2)n1

Basic Information

ChEMBL ID CHEMBL2006567
Phase Preclinical
Structure Type MOL
InChI Key ZFBBVSHFSXNGFK-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.22
ALogP
5
HBA
2
HBD
91.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N4OS
MW 258.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.09

Activity Summary

Ki 7 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 7.1 7.1 79.4 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 6.3 6.3 501.2 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 5.8 5.8 1584.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 5.7 5.7 1995.3 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 5.7 5.7 1995.3 1
Aurora kinase B
CHEMBL2185
Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine