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

CHEMBL6026552

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
COc1cc(C)c2[nH]ccc2c1CN1CCCC[C@H]1c1ccc(-c2cc[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL6026552
Phase Preclinical
Structure Type MOL
InChI Key AWNIBQJCDRHYFM-QHCPKHFHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.60
ALogP
3
HBA
2
HBD
56.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O
MW 400.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 10.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
IC50 10.4 8.93 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine