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Compound Detail

CHEMBL1312703

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COC(=O)c1cc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC

Basic Information

ChEMBL ID CHEMBL1312703
Phase Preclinical
Structure Type MOL
InChI Key LFBPXCRWJWMIKV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.9
MW (Da)
4.69
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClNO4
MW 375.85
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.31

Activity Summary

IC50 2 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.36 5.36 4321.0 1
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.28 5.28 5306.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine