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Compound Detail

CHEMBL4587253

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N[C@H]1C[C@@H](C(=O)NO)N(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587253
Phase Preclinical
Structure Type MOL
InChI Key TVFSGFUGRUJAFM-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
1.13
ALogP
4
HBA
3
HBD
95.7
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 C20H19N3O3
MW 349.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.87

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 1
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