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

CHEMBL5766035

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
NCC1(c2cccc(-c3ncnc4[nH]ccc34)c2)Cc2ccc(-c3ccc4nccn4c3)cc2C1

Basic Information

ChEMBL ID CHEMBL5766035
Phase Preclinical
Structure Type MOL
InChI Key JLBUZJPJHYECTL-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
4.93
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H24N6
MW 456.55
Aromatic Rings 6
Heavy Atoms 35
NP-Likeness -0.76

Activity Summary

IC50 6 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.7 5.7 2000.0 3
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 5.7 5.7 2000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine