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Compound Detail

CHEMBL4541441

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O=C(NO)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(C#Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4541441
Phase Preclinical
Structure Type MOL
InChI Key TXLUYUIANZHQOI-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
1.17
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O4
MW 350.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
30954331 10.1016/j.bmc.2019.03.056 Escherichia coli 4
30954331 10.1016/j.bmc.2019.03.056 Unchecked 2
30954331 10.1016/j.bmc.2019.03.056 Klebsiella pneumoniae 1
30954331 10.1016/j.bmc.2019.03.056 Klebsiella oxytoca 1
30954331 10.1016/j.bmc.2019.03.056 Enterobacter cloacae 1
30954331 10.1016/j.bmc.2019.03.056 Klebsiella aerogenes 1
30954331 10.1016/j.bmc.2019.03.056 Proteus mirabilis 1
30954331 10.1016/j.bmc.2019.03.056 Proteus vulgaris 1
30954331 10.1016/j.bmc.2019.03.056 Citrobacter freundii 1
30954331 10.1016/j.bmc.2019.03.056 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine