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

CHEMBL5429501

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
COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cncnc1C

Basic Information

ChEMBL ID CHEMBL5429501
Phase Preclinical
Structure Type MOL
InChI Key SBNNIWTYDATTAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
3.73
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClN5O2
MW 367.80
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ICOS-ICOSL
CHEMBL5482971
IC50 5.25 5.25 5650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ICOS-ICOSL IC50 = 5650.0 nM 5.25 Inhibition of C-terminal IgG1 Fc region fused human ICOS extracellular domain (1... 37731692

Literature References

PubMed DOI Target Context # Activities
37731692 10.1039/d3md00150d ICOS-ICOSL 1

Data from ChEMBL 36 via Core Engine