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Compound Detail

CHEMBL2272359

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O=C(Nc1ccccc1-c1ccccc1)c1cccnc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2272359
Phase Preclinical
Structure Type MOL
InChI Key LLPUJNYVYYGTEP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

308.8
MW (Da)
4.65
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.72
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 C18H13ClN2O
MW 308.77
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.G10-70 Puccinia recondita 2
- 10.1584/jpestics.G10-70 Pyricularia grisea 1
- 10.1584/jpestics.G10-70 Podosphaera xanthii 1
- 10.1584/jpestics.G10-70 Botrytis cinerea 1
- 10.1584/jpestics.17.2_91 Cytochrome b-c1 complex subunit Rieske, mitochondrial 1
- 10.1584/jpestics.17.2_91 Botrytis cinerea 1
- 10.1584/jpestics.17.2_91 Rhizoctonia solani 1

Data from ChEMBL 36 via Core Engine