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Compound Detail

CHEMBL202688

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CN(Cc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202688
Phase Preclinical
Structure Type MOL
InChI Key SUXAWRIGWWRSQD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
4.27
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.79
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 C18H15F6NO2
MW 391.31
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Malonyl-CoA decarboxylase, mitochondrial
CHEMBL4698
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Malonyl-CoA decarboxylase, mitochondrial IC50 = 1.0 nM 9.0 Inhibition of MCD 16509570

Literature References

PubMed DOI Target Context # Activities
16509570 10.1021/jm050109n Malonyl-CoA decarboxylase, mitochondrial 1

Data from ChEMBL 36 via Core Engine