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Compound Detail

CHEMBL3660791

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C=C(CNCCOC)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL3660791
Phase Preclinical
Structure Type MOL
InChI Key GFHVNJTZYHPCTM-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.74
ALogP
5
HBA
3
HBD
102.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N5O2
MW 405.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.74

Activity Summary

IC50 3 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.89 8.89 1.3 2
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine