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Compound Detail

CHEMBL377765

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Clc1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377765
Phase Preclinical
Structure Type MOL
InChI Key AIPDTAGTECXKTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.8
MW (Da)
4.96
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClN3
MW 311.82
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
16854056 10.1021/jm051008s Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine