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Compound Detail

CHEMBL1988662

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CN(C)CCCOc1cc(-c2ccncc2)cc2[nH]nc(N)c12

Basic Information

ChEMBL ID CHEMBL1988662
Phase Preclinical
Structure Type MOL
InChI Key SELXDFVNFMEQCP-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.54
ALogP
5
HBA
2
HBD
80.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5O
MW 311.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.79

Activity Summary

Ki 9 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.9 7.9 12.6 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.1 7.1 79.4 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.8 6.8 158.5 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.6 6.6 251.2 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.5 5.5 3162.3 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 5.5 5.5 3162.3 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 5.5 5.5 3162.3 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine