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Compound Detail

CHEMBL3355650

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O=c1cnc(CCc2ccccc2)c2n1CCC2

Basic Information

ChEMBL ID CHEMBL3355650
Phase Preclinical
Structure Type MOL
InChI Key YCDNFIFPTPRDLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
1.97
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2O
MW 240.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
25397992 10.1021/np500632c NON-PROTEIN TARGET 4
25397992 10.1021/np500632c Candida albicans 1
25397992 10.1021/np500632c Nocardia sp. 1
25397992 10.1021/np500632c Staphylococcus aureus 1
25397992 10.1021/np500632c Mycolicibacterium diernhoferi 1
25397992 10.1021/np500632c Paenibacillus polymyxa 1
25397992 10.1021/np500632c Escherichia coli 1
25397992 10.1021/np500632c Chromobacterium violaceum 1
25397992 10.1021/np500632c Pseudomonas aeruginosa 1
25397992 10.1021/np500632c Saccharomyces cerevisiae 1
25397992 10.1021/np500632c Wickerhamomyces anomalus 1
25397992 10.1021/np500632c Mucor hiemalis 1
25397992 10.1021/np500632c L929 1
25397992 10.1021/np500632c HUVEC 1
25397992 10.1021/np500632c A-431 1
25397992 10.1021/np500632c MCF7 1
25397992 10.1021/np500632c A549 1

Data from ChEMBL 36 via Core Engine