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Compound Detail

CHEMBL2002432

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CC(C)Nc1nccc(Nc2ncc(-c3ccccc3)s2)n1

Basic Information

ChEMBL ID CHEMBL2002432
Phase Preclinical
Structure Type MOL
InChI Key KVXUSGCDEMAYHI-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
4.16
ALogP
6
HBA
2
HBD
62.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5S
MW 311.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.50

Activity Summary

Ki 6 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
Ki 7.8 7.8 15.8 1
Tyrosine-protein kinase ABL1
CHEMBL1862
Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 7.1 7.1 79.4 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 6.2 6.2 631.0 1
Dual specificity mitogen-activated protein kinase kinase 2
CHEMBL2964
Ki 5.9 5.9 1258.9 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine