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Compound Detail

CHEMBL1991143

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Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1

Basic Information

ChEMBL ID CHEMBL1991143
Phase Preclinical
Structure Type MOL
InChI Key PTSPERXSBKTNTF-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.8
MW (Da)
3.85
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClN3O2
MW 339.78
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.13

Activity Summary

Ki 10 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aurora kinase A
CHEMBL4722
Ki 6.3 6.3 501.2 1
Ribosomal protein S6 kinase alpha-4
CHEMBL3125
Ki 5.9 5.9 1258.9 1
Aurora kinase B
CHEMBL2185
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase PLK3
CHEMBL4897
Ki 5.6 5.6 2511.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.4 5.4 3981.1 1
SRSF protein kinase 1
CHEMBL4375
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase BRSK1
CHEMBL5650
Ki 5.3 5.3 5011.9 1
MAP kinase-activated protein kinase 2
CHEMBL2208
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine