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

CHEMBL109187

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
COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109187
Phase Preclinical
Structure Type MOL
InChI Key UANMLAPAUQRVHJ-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.9
MW (Da)
4.87
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22ClFN4O2
MW 464.93
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 Ki 5.91 5.91 1230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 1230.0 nM 5.91 Binding affinity against rat benzodiazepine (BZD) receptor 12372538

Literature References

PubMed DOI Target Context # Activities
12372538 10.1016/s0960-894x(02)00513-9 Translocator protein 1

Data from ChEMBL 36 via Core Engine