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Compound Detail

CHEMBL2006785

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Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1

Basic Information

ChEMBL ID CHEMBL2006785
Phase Preclinical
Structure Type MOL
InChI Key ROPVGAMDOWWUTK-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
5.64
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10Cl2N2OS
MW 361.25
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.59

Activity Summary

Ki 10 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 7.7 7.7 19.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 6.3 6.3 501.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.1 6.1 794.3 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.9 5.9 1258.9 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 5.8 5.8 1584.9 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 5.7 5.7 1995.3 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 5.4 5.4 3981.1 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine