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Compound Detail

CHEMBL1995932

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Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1

Basic Information

ChEMBL ID CHEMBL1995932
Phase Preclinical
Structure Type MOL
InChI Key UFMAIBLTWQRHAK-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.94
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5
MW 315.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.32

Activity Summary

Ki 10 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.6 8.6 2.5 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.2 8.2 6.3 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 8.1 8.1 7.9 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 7.9 7.9 12.6 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 7.4 7.4 39.8 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.9 6.9 125.9 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.8 6.8 158.5 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 6.8 6.8 158.5 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.8 6.8 158.5 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.3 6.3 501.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine