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Compound Detail

CHEMBL4059591

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COC(=O)c1ccc(OCCN2CCOCC2)c(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059591
Phase Preclinical
Structure Type MOL
InChI Key FJFDLLGXWZXSGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
4.92
ALogP
7
HBA
1
HBD
86.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N2O6
MW 526.67
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.54

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