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Compound Detail

CHEMBL1446462

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CCOC(=O)C1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1446462
Phase Preclinical
Structure Type MOL
InChI Key LQNJQQXGDSQIOK-UHFFFAOYSA-N
Parent Compound CHEMBL1621848
Active Moiety CHEMBL1621848
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
4.04
ALogP
4
HBA
0
HBD
38.8
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 C24H29NO7
MW 443.50
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.97 6.97 108.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 108.0 nM 6.97 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -

Data from ChEMBL 36 via Core Engine