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Compound Detail

CHEMBL562638

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Cn1c(NCCCN2CCC(Oc3ccc(Cl)cc3C(=O)O)CC2)cc(=O)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL562638
Phase Preclinical
Structure Type MOL
InChI Key XPYYQHFSTUXSTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
1.78
ALogP
8
HBA
2
HBD
105.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27ClN4O5
MW 450.92
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
19362477 10.1016/j.bmcl.2009.03.124 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine