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Compound Detail

CHEMBL188020

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CN1CCN(NC(=O)c2nc3cc(Cl)ccc3[nH]2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL188020
Phase Preclinical
Structure Type MOL
InChI Key SSZTYPIWSXBRRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.8
MW (Da)
1.11
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.87
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 C13H16ClN5O
MW 293.76
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
15454206 10.1016/j.bmcl.2004.08.035 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine