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Compound Detail

CHEMBL1436871

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COc1ccccc1/C=C/C(=O)OCCCN(C)C

Basic Information

ChEMBL ID CHEMBL1436871
Phase Preclinical
Structure Type MOL
InChI Key BMJNCAAJZHHPED-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.20
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.43
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 C15H21NO3
MW 263.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.28

Activity Summary

EC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.6 5.6 2524.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 2524.0 nM 5.6 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... -

Data from ChEMBL 36 via Core Engine