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Compound Detail

CHEMBL1999774

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Cc1c(Cl)c(N2CCC(CN)C2)nc2[nH]cc(C(=O)O)c(=O)c12

Basic Information

ChEMBL ID CHEMBL1999774
Phase Preclinical
Structure Type MOL
InChI Key ZMEIPDPKFPZUIJ-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
1.37
ALogP
5
HBA
3
HBD
112.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17ClN4O3
MW 336.78
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.69

Activity Summary

Ki 9 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.9 6.9 125.9 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.4 5.4 3981.1 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 5.2 5.2 6309.6 1
Protein kinase C delta type
CHEMBL2996
Ki 5.1 5.1 7943.3 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 5.1 5.1 7943.3 1
Serine/threonine-protein kinase PAK 1
CHEMBL4600
Ki 5.0 5.0 10000.0 1
MAP kinase-activated protein kinase 3
CHEMBL4670
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine