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Compound Detail

CHEMBL443794

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Cc1nc(Cc2ccccc2)c(O)nc1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL443794
Phase Preclinical
Structure Type MOL
InChI Key JWGCXKPKEBPFNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
3.67
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O
MW 290.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
11012033 10.1016/s0960-894x(00)00431-5 Unchecked 5
25397992 10.1021/np500632c NON-PROTEIN TARGET 4
25397992 10.1021/np500632c A549 1
11012033 10.1016/s0960-894x(00)00431-5 Plasminogen 1
25397992 10.1021/np500632c MCF7 1
25397992 10.1021/np500632c L929 1
25397992 10.1021/np500632c Mucor hiemalis 1
25397992 10.1021/np500632c Wickerhamomyces anomalus 1
25397992 10.1021/np500632c Candida albicans 1
25397992 10.1021/np500632c Saccharomyces cerevisiae 1
25397992 10.1021/np500632c Pseudomonas aeruginosa 1
25397992 10.1021/np500632c Chromobacterium violaceum 1
25397992 10.1021/np500632c Escherichia coli 1
25397992 10.1021/np500632c Paenibacillus polymyxa 1
25397992 10.1021/np500632c Mycolicibacterium diernhoferi 1
25397992 10.1021/np500632c Staphylococcus aureus 1
25397992 10.1021/np500632c Nocardia sp. 1

Data from ChEMBL 36 via Core Engine