Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4516636

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(NO)[C@@H]1CCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4516636
Phase Preclinical
Structure Type MOL
InChI Key CRQADBHRPQHAIT-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.20
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.50
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 C20H18N2O3
MW 334.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.07

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