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Compound Detail

CHEMBL5196762

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O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(-c3cccnc3)cc2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196762
Phase Preclinical
Structure Type MOL
InChI Key LCKWUJQSHDIIDN-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.87
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17FN2O3
MW 364.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.91

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
36257060 10.1021/acs.jmedchem.2c01349 Unchecked 2

Data from ChEMBL 36 via Core Engine