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Compound Detail

CHEMBL1091568

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CNC1CCCN(c2ncnc3c2oc2ccc(Cl)cc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1091568
Phase Preclinical
Structure Type MOL
InChI Key RBKDYGHFNWSLJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.8
MW (Da)
3.22
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.79
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 C16H17ClN4O
MW 316.79
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
20299215 10.1016/j.bmcl.2010.02.097 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine