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Compound Detail

CHEMBL6032942

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Cc1ccc(C)c2oc(-c3noc(-c4ccc(C(=O)O)cc4)n3)cc12

Basic Information

ChEMBL ID CHEMBL6032942
Phase Preclinical
Structure Type MOL
InChI Key MYOWSAKWTTVWTP-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
4.46
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O4
MW 334.33
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.76

Activity Summary

EC50 3 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor beta
CHEMBL2008
EC50 8.09 8.09 8.2 1
Retinoic acid receptor gamma
CHEMBL2003
EC50 8.08 8.08 8.3 1
Retinoic acid receptor alpha
CHEMBL2055
EC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine