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Compound Detail

CHEMBL1993413

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O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1993413
Phase Preclinical
Structure Type MOL
InChI Key JFKIXRTUZAZONT-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.8
MW (Da)
4.53
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.53
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 C19H13ClN4O
MW 348.79
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.21

Activity Summary

Ki 9 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.8 8.8 1.6 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.6 7.6 25.1 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
Ki 7.5 7.5 31.6 1
Cyclin-dependent kinase 8
CHEMBL5719
Ki 7.1 7.1 79.4 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.6 6.6 251.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 6.5 6.5 316.2 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 5.8 5.8 1584.9 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.6 5.6 2511.9 1
Mitogen-activated protein kinase 14
CHEMBL260
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine