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Compound Detail

CHEMBL1964340

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COCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1

Basic Information

ChEMBL ID CHEMBL1964340
Phase Preclinical
Structure Type MOL
InChI Key HBZTVQKHXVDIDE-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.8
MW (Da)
3.34
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.56
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 C15H15ClN4O
MW 302.77
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.34

Activity Summary

Ki 10 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.7 8.7 2.0 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 8.3 8.3 5.0 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.2 7.2 63.1 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.9 6.9 125.9 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 6.8 6.8 158.5 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 9
CHEMBL3116
Ki 6.7 6.7 199.5 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.1 6.1 794.3 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.4 5.4 3981.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine