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Compound Detail

CHEMBL3086162

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CC1(C)CC=C(c2cc(C(N)=O)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL3086162
Phase Preclinical
Structure Type MOL
InChI Key SVIAQZKBNGIKHO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.23
ALogP
4
HBA
3
HBD
124.7
PSA (Ų)
0.77
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 C20H21N5O2
MW 363.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.46

Activity Summary

IC50 2 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.66 8.66 2.2 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 7.5 7.5 32.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24138939 10.1016/j.bmcl.2013.09.061 Macrophage colony-stimulating factor 1 receptor 2

Data from ChEMBL 36 via Core Engine