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Compound Detail

CHEMBL1495386

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COc1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1OC

Basic Information

ChEMBL ID CHEMBL1495386
Phase Preclinical
Structure Type MOL
InChI Key AVJRIQKEHHLDBR-ZSOIEALJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
3.08
ALogP
5
HBA
0
HBD
57.6
PSA (Ų)
0.64
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 C18H15NO4
MW 309.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.20

Activity Summary

EC50 1 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein
CHEMBL3885546
EC50 5.41 5.41 3910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine