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

CHEMBL152626

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(C(=O)CC(CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)O)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152626
Phase Preclinical
Structure Type MOL
InChI Key RBLNVOFLDUHEPH-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.9
MW (Da)
5.69
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClO6
MW 466.92
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 5.0
Ki 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 7.38 7.38 42.0 1
HT-29
CHEMBL384
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 42.0 nM 7.38 Inhibition of the binding of [3H]NT to neurotensin (NT) receptor in mouse brain ... -
HT-29 IC50 = 10000.0 nM 5.0 In vitro ability to inhibit the calcium mobilization induced by neurotensin (NT)... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00067-X Unchecked 1
- 10.1016/S0960-894X(97)00067-X HT-29 1

Data from ChEMBL 36 via Core Engine