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Compound Detail

CHEMBL5839580

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COc1c(C)cccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc(=O)[nH]cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5839580
Phase Preclinical
Structure Type MOL
InChI Key ZCHPVWZDQCVUSD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
5.06
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F3N2O4
MW 432.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 27.0 nM 7.57 Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... -

Data from ChEMBL 36 via Core Engine