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Compound Detail

CHEMBL1589546

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CCN(CC)CCCN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1589546
Phase Preclinical
Structure Type MOL
InChI Key GQKRTCAGSAQWNB-OQKWZONESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.53
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O2
MW 391.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.48 5.48 3340.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3340.12 nM 5.48 PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits ... -

Data from ChEMBL 36 via Core Engine