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Compound Detail

CHEMBL4744155

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Cn1c(Cc2cccnc2)nc2cc(O[C@H]3CC[C@@H](C(=O)O)CC3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744155
Phase Preclinical
Structure Type MOL
InChI Key TYOZJDXWXLPXQO-IYBDPMFKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.58
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.75
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 C21H23N3O3
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.82

Activity Summary

IC50 1 meas.

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