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

CHEMBL145616

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
COc1ccc(-c2ccc(N(C)C)c(=O)cc2)c(OC)c1OC

Basic Information

ChEMBL ID CHEMBL145616
Phase Preclinical
Structure Type MOL
InChI Key BILNFWGPDIULQW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.81
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO4
MW 315.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.13

Activity Summary

IC50 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 22000.0 nM 4.66 Concentration was evaluated for its ability to inhibit microtubule assembly and ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81108-2 Unchecked 1

Data from ChEMBL 36 via Core Engine