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Compound Detail

CHEMBL146948

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COc1cc(C/N=C(\S)NCCc2ccc(Cl)cc2)ccc1OCC[N+](C)(C)C.O=C([O-])C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL146948
Phase Preclinical
Structure Type MOL
InChI Key CNIVUWNZLRSJRO-UHFFFAOYSA-N
Parent Compound CHEMBL1180906
Active Moiety CHEMBL1180906
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.0
MW (Da)
4.05
ALogP
3
HBA
2
HBD
42.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31ClF3N3O4S
MW 550.04
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
8960554 10.1021/jm960512h Vanilloid receptor 1

Data from ChEMBL 36 via Core Engine