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Compound Detail

CHEMBL187106

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CN(C)c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187106
Phase Preclinical
Structure Type MOL
InChI Key CRAAAJDSNXJDEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.8
MW (Da)
3.95
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.77
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 C15H14ClN3
MW 271.75
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.65

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