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Compound Detail

CHEMBL363089

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O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363089
Phase Preclinical
Structure Type MOL
InChI Key RRFROKWVUGIPEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.7
MW (Da)
2.29
ALogP
2
HBA
1
HBD
45.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13ClN2O2
MW 264.71
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
15454206 10.1016/j.bmcl.2004.08.035 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine