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Compound Detail

CHEMBL159785

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OC(Cn1ccnc1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159785
Phase Preclinical
Structure Type MOL
InChI Key HMMMTSXSWRPUOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

222.7
MW (Da)
2.27
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11ClN2O
MW 222.68
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
22321993 10.1016/j.ejmech.2012.01.034 Candida albicans 7
22321993 10.1016/j.ejmech.2012.01.034 Candida 3
7252982 10.1021/jm00138a017 Mus musculus 3
22321993 10.1016/j.ejmech.2012.01.034 Candida parapsilosis 2
22321993 10.1016/j.ejmech.2012.01.034 Candida tropicalis 2
22321993 10.1016/j.ejmech.2012.01.034 Pichia kudriavzevii 2
- 10.1007/s00044-012-0251-3 Candida albicans 2
28242548 10.1016/j.ejmech.2017.02.035 Pseudomonas aeruginosa 1
28242548 10.1016/j.ejmech.2017.02.035 Escherichia coli 1
28242548 10.1016/j.ejmech.2017.02.035 Enterococcus faecalis 1
28242548 10.1016/j.ejmech.2017.02.035 Staphylococcus aureus 1
28242548 10.1016/j.ejmech.2017.02.035 Candida parapsilosis 1
28242548 10.1016/j.ejmech.2017.02.035 Pichia kudriavzevii 1
28242548 10.1016/j.ejmech.2017.02.035 Candida albicans 1
25036789 10.1016/j.ejmech.2014.06.078 No relevant target 1
25036789 10.1016/j.ejmech.2014.06.078 Indoleamine 2,3-dioxygenase 1 1
22321993 10.1016/j.ejmech.2012.01.034 Nakaseomyces glabratus 1

Data from ChEMBL 36 via Core Engine