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Compound Detail

CHEMBL4744967

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Cc1cccc(C(=O)c2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3n2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744967
Phase Preclinical
Structure Type MOL
InChI Key QPGPIBXTAWHQBW-WOVMCDHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.13
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O4
MW 392.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
33285268 10.1016/j.bmcl.2020.127722 Long-chain-fatty-acid--CoA ligase 1 2

Data from ChEMBL 36 via Core Engine