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Compound Detail

CHEMBL1965387

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Nc1n[nH]c2c(OCCCn3cccc3)ccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12

Basic Information

ChEMBL ID CHEMBL1965387
Phase Preclinical
Structure Type MOL
InChI Key GSYNTOXSBKQRAW-UHFFFAOYSA-N
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.0
MW (Da)
6.38
ALogP
5
HBA
4
HBD
110.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25ClN6O2
MW 500.99
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.24

Activity Summary

Ki 8 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.8 7.8 15.8 1
Platelet-derived growth factor receptor beta
CHEMBL1913
Ki 7.7 7.7 19.9 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 7.5 7.5 31.6 1
Cyclin-dependent kinase 8
CHEMBL5719
Ki 7.3 7.3 50.1 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 7.2 7.2 63.1 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
Ki 7.1 7.1 79.4 1
Aurora kinase B
CHEMBL2185
Ki 6.6 6.6 251.2 1
NT-3 growth factor receptor
CHEMBL5608
Ki 5.5 5.5 3162.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine