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Compound Detail

CHEMBL1334503

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CCCCCCc1cc2cc(C(=O)Nc3ccccc3OC)c(=O)oc2cc1O

Basic Information

ChEMBL ID CHEMBL1334503
Phase Preclinical
Structure Type MOL
InChI Key OSRUQNAFDCVLCZ-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
4.88
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.42
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 C23H25NO5
MW 395.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.30

Activity Summary

EC50 1 meas. best 5.71
IC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.71 5.71 1970.0 1
Unchecked
CHEMBL612545
IC50 5.04 5.04 9142.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine