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Compound Detail

CHEMBL5918147

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Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4C(F)(F)F)no3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5918147
Phase Preclinical
Structure Type MOL
InChI Key JCLUMFGPTRFSEE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
5.48
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F3N2O4
MW 402.33
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.83

Activity Summary

EC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor beta
CHEMBL2008
 EC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Retinoic acid receptor beta EC50 = 10.0 nM 8.0 Transactivation assays: Transcriptional transactivation assays were performed wi... -

Data from ChEMBL 36 via Core Engine