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Compound Detail

CHEMBL115289

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Cc1cnc(C)c(NCCc2c[nH]cn2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115289
Phase Preclinical
Structure Type MOL
InChI Key ZQBHMILYTFLHIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
1.47
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5
MW 217.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
7650687 10.1021/jm00017a018 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine