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Compound Detail

CHEMBL331836

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Clc1cc(Cl)cc(OCCc2c[nH]cn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331836
Phase Preclinical
Structure Type MOL
InChI Key UYQLAIHGDVFNPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.1
MW (Da)
3.34
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10Cl2N2O
MW 257.12
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
8809168 10.1021/jm960138l Histamine H3 receptor 1
8809168 10.1021/jm960138l Mus musculus 1

Data from ChEMBL 36 via Core Engine