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Compound Detail

CHEMBL4079103

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COC(=O)c1ccc(OCCN2CCCC2)c(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079103
Phase Preclinical
Structure Type MOL
InChI Key QXDJBZNNCHQJQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

532.7
MW (Da)
5.43
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.41
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40N2O5
MW 532.68
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -1.13

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