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Compound Detail

CHEMBL471877

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N#Cc1ccc(OCCCN2CCC(F)(F)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471877
Phase Preclinical
Structure Type MOL
InChI Key GZZBDVWTYWARQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
3.06
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18F2N2O
MW 280.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
19286376 10.1016/j.bmcl.2009.02.110 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine