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Compound Detail

CHEMBL325470

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CC(=O)N1[C@H](C)CN(C2c3ccc(Cl)cc3CCc3cccnc32)C[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325470
Phase Preclinical
Structure Type MOL
InChI Key ICKSMNOTDYHEHO-SZLXDWMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.9
MW (Da)
3.86
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN3O
MW 383.92
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.48

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