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Compound Detail

CHEMBL1381197

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Clc1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1

Basic Information

ChEMBL ID CHEMBL1381197
Phase Preclinical
Structure Type MOL
InChI Key WHKWRDQKKUPBMN-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.8
MW (Da)
4.06
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.61
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 C18H14ClN5
MW 335.80
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.28

Activity Summary

Ki 9 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.8 6.8 158.5 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 6.6 6.6 251.2 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.6 6.6 251.2 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 6.5 6.5 316.2 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 6.1 6.1 794.3 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 6.1 6.1 794.3 1
Aurora kinase B
CHEMBL2185
Ki 5.4 5.4 3981.1 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine