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Compound Detail

CHEMBL1564144

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CCc1ccc(CN2CCCC(CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1564144
Phase Preclinical
Structure Type MOL
InChI Key PUPZJKCECXRUAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
3.58
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N4O2
MW 410.56
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.79

Activity Summary

EC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 21.0 nM 7.68 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Data from ChEMBL 36 via Core Engine