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Compound Detail

CHEMBL4750456

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c1ccc(-c2ccc3c(c2)CC(CN2CCN(c4ccccc4)CC2)O3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750456
Phase Preclinical
Structure Type MOL
InChI Key WKZKDHYYDPAMKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.48
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N2O
MW 370.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
33333448 10.1016/j.bmc.2020.115924 Histamine H4 receptor 1
33333448 10.1016/j.bmc.2020.115924 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine