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Compound Detail

CHEMBL4103353

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COC(=O)c1ccc(OCCCN2CCOCC2)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103353
Phase Preclinical
Structure Type MOL
InChI Key SUWQBHNNQMVQBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
5.06
ALogP
7
HBA
1
HBD
86.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H42N2O6
MW 562.71
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -1.23

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