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Compound Detail

CHEMBL3659630

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CCN(CC)C(=O)Cc1c(-c2ccc(C)cc2)nc2c(C)cc(C)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3659630
Phase Preclinical
Structure Type MOL
InChI Key CUGGTIFWWSZRMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
3.73
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.70
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 C21H26N4O
MW 350.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.72

Activity Summary

Ki 1 meas. best 9.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL5742
 Ki 9.34 9.34 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 0.46 nM 9.34 In Vitro Binding Assay: In vitro binding activity of TSPO. -

Data from ChEMBL 36 via Core Engine