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Compound Detail

CHEMBL1986507

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Cc1cc(C)cc(NC(=O)Nc2ccc(-c3ccnc4c3c(N)nn4C)cc2)c1

Basic Information

ChEMBL ID CHEMBL1986507
Phase Preclinical
Structure Type MOL
InChI Key HBHOKIDZSIYNGE-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.48
ALogP
5
HBA
3
HBD
97.9
PSA (Ų)
0.48
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 C22H22N6O
MW 386.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.20

Activity Summary

Ki 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
Ki 9.0 9.0 1.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 8.7 8.7 2.0 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine