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Compound Detail

CHEMBL325718

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CCOC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325718
Phase Preclinical
Structure Type MOL
InChI Key MQIRIXQLZCCHDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
3.70
ALogP
4
HBA
0
HBD
45.7
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 C21H24ClN3O2
MW 385.89
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
9934454 10.1016/s0960-894x(98)00626-x Homo sapiens 1
9934454 10.1016/s0960-894x(98)00626-x Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine