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Compound Detail

CHEMBL1425806

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CCOC(=O)C1CCCN(Cc2ccc(OCc3ccccc3)c(OC)c2)C1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1425806
Phase Preclinical
Structure Type MOL
InChI Key BCIKPOCJIYVUSY-UHFFFAOYSA-N
Parent Compound CHEMBL1620627
Active Moiety CHEMBL1620627
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
4.05
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31NO8
MW 473.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.01

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -

Data from ChEMBL 36 via Core Engine