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

CHEMBL5825137

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
Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC2CCOCC2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5825137
Phase Preclinical
Structure Type MOL
InChI Key KJPQVMIRPSWAHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
2.32
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O4
MW 395.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.72

Activity Summary

Ki 1 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Integrin alpha-5
CHEMBL3955
 Ki 8.54 8.54 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Integrin alpha-5 Ki = 2.9 nM 8.54 Electrophysiology: Electrophysiological experiments were performed on days 3 to ... -

Data from ChEMBL 36 via Core Engine