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Compound Detail

CHEMBL278011

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CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C

Basic Information

ChEMBL ID CHEMBL278011
Phase Preclinical
Structure Type MOL
InChI Key KSSLWRODFWYIQS-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
5.08
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O
MW 332.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.81

Activity Summary

IC50 4 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
IC50 7.96 7.9575 11.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9288173 10.1021/jm960516m Translocator protein 2
11312914 10.1021/jm0009742 Translocator protein 1
34254805 10.1021/acs.jmedchem.1c00379 Translocator protein 1

Data from ChEMBL 36 via Core Engine