Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1170785

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N#Cc1c[nH]c(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)n1

Basic Information

ChEMBL ID CHEMBL1170785
Phase Preclinical
Structure Type MOL
InChI Key ZQYZMMAMCNNEQG-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.89
ALogP
4
HBA
4
HBD
122.7
PSA (Ų)
0.64
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 C21H22N6O2
MW 390.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.40

Activity Summary

IC50 4 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1
CHEMBL3638330
IC50 9.0 8.76 1.0 2
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.64 8.64 2.3 1
Unchecked
CHEMBL612545
IC50 7.12 7.12 75.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20570147 10.1016/j.bmcl.2010.05.013 Unchecked 3
20570147 10.1016/j.bmcl.2010.05.013 Liver microsomes 2
20570147 10.1016/j.bmcl.2010.05.013 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine