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Compound Detail

CHEMBL1502870

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COC(=O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1

Basic Information

ChEMBL ID CHEMBL1502870
Phase Preclinical
Structure Type MOL
InChI Key LKDYFXFQMJDNHQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.8
MW (Da)
3.44
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClNO4
MW 359.81
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.60

Activity Summary

IC50 2 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.28 6.09 520.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine