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

CHEMBL3951147

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
CC(C)=CC(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3951147
Phase Preclinical
Structure Type MOL
InChI Key TUYXMYVLZMCEJF-ZRDIBKRKSA-N
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
5.26
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N4O2
MW 422.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 8.24 8.24 5.8 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 654.0 ng.hr.mL-1 Mus musculus
Cmax 1282.87 nM Mus musculus
T1/2 0.8 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 5.8 nM 8.24 Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... -

Data from ChEMBL 36 via Core Engine