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Compound Detail

CHEMBL4746519

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O=C(c1cc2ccccc2o1)N1CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4746519
Phase Preclinical
Structure Type MOL
InChI Key GRTRKCBPNPVSRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.40
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O2
MW 306.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.34

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