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Compound Detail

CHEMBL1817803

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Oc1ccccc1/C=C/c1cc(F)c(F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1817803
Phase Preclinical
Structure Type MOL
InChI Key IHGXWHZLXQXSBI-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

250.2
MW (Da)
3.98
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9F3O
MW 250.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
21803587 10.1016/j.bmc.2011.07.015 Brevibacillus brevis 1
21803587 10.1016/j.bmc.2011.07.015 Bacillus subtilis 1
21803587 10.1016/j.bmc.2011.07.015 Enterobacter cloacae subsp. dissolvens 1
21803587 10.1016/j.bmc.2011.07.015 Micrococcus luteus 1
21803587 10.1016/j.bmc.2011.07.015 Eremothecium coryli 1
21803587 10.1016/j.bmc.2011.07.015 Penicillium chrysogenum 1
21803587 10.1016/j.bmc.2011.07.015 Rhizomucor miehei 1
21803587 10.1016/j.bmc.2011.07.015 Colletotrichum graminicola 1
21803587 10.1016/j.bmc.2011.07.015 Botrytis cinerea 1
21803587 10.1016/j.bmc.2011.07.015 NIH3T3 1

Data from ChEMBL 36 via Core Engine