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Compound Detail

CHEMBL5862215

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Cc1ccc(C)c2oc(-c3nnc(-c4ccc(C(=O)O)cc4Cl)o3)cc12

Basic Information

ChEMBL ID CHEMBL5862215
Phase Preclinical
Structure Type MOL
InChI Key FRZGIDLPTLULST-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.8
MW (Da)
5.12
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13ClN2O4
MW 368.78
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.78

Activity Summary

EC50 3 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor beta
CHEMBL2008
EC50 7.55 7.55 28.0 1
Retinoic acid receptor gamma
CHEMBL2003
EC50 7.24 7.24 58.0 1
Retinoic acid receptor alpha
CHEMBL2055
EC50 6.65 6.65 225.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine