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Compound Detail

CHEMBL4087563

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COC(=O)c1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4087563
Phase Preclinical
Structure Type MOL
InChI Key FTFFPYAMQKBSAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
4.54
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO4
MW 367.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
28991459 10.1021/acs.jmedchem.7b01231 Malate dehydrogenase, mitochondrial 1
28991459 10.1021/acs.jmedchem.7b01231 Malate dehydrogenase, cytoplasmic 1

Data from ChEMBL 36 via Core Engine