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Compound Detail

CHEMBL494683

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CN[C@@H]1CCN(c2nc(N)nc3c2CCCCCc2ccccc2-3)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494683
Phase Preclinical
Structure Type MOL
InChI Key CSUVVGDMOKCABC-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
2.79
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.88
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 C20H27N5
MW 337.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
18817367 10.1021/jm800670r Histamine H4 receptor 2
18817367 10.1021/jm800670r Unchecked 1

Data from ChEMBL 36 via Core Engine