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Compound Detail

CHEMBL1911610

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Cc1c2ccccc2nc2c1c(=O)n(-c1ccccc1)n2CC(=O)N(Cc1ccccc1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1911610
Phase Preclinical
Structure Type MOL
InChI Key RDDXFAFIEHYQHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
5.09
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.35
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 C29H28N4O2
MW 464.57
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
 IC50 6.52 6.52 304.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein IC50 = 304.0 nM 6.52 Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates af... 21916402

Literature References

PubMed DOI Target Context # Activities
21916402 10.1021/jm200770f Translocator protein 1

Data from ChEMBL 36 via Core Engine