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Compound Detail

CHEMBL5183983

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CC(C)(C)Oc1cc(-c2ccc(N3C[C@H](CO)OC3=O)cc2F)cnc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183983
Phase Preclinical
Structure Type MOL
InChI Key RGLWHRFHBMKFOB-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
95.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20FN3O4
MW 385.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
36257060 10.1021/acs.jmedchem.2c01349 Acinetobacter baumannii 4
36257060 10.1021/acs.jmedchem.2c01349 Escherichia coli 4
36257060 10.1021/acs.jmedchem.2c01349 Pseudomonas aeruginosa 4

Data from ChEMBL 36 via Core Engine