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Compound Detail

CHEMBL3967115

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COC[C@H](O)Cc1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1

Basic Information

ChEMBL ID CHEMBL3967115
Phase Preclinical
Structure Type MOL
InChI Key BDBDLANNRKYVKT-GOSISDBHSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.68
ALogP
5
HBA
3
HBD
111.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O3
MW 408.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.14

Activity Summary

IC50 4 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.82 8.82 1.5 3
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 7.47 7.47 33.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine