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Compound Detail

CHEMBL61729

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CCCCCCC/C=C\c1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61729
Phase Preclinical
Structure Type MOL
InChI Key AWHAMAABIGBPOP-HJWRWDBZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

192.3
MW (Da)
3.78
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N2
MW 192.31
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.15

Literature References

PubMed DOI Target Context # Activities
9873477 10.1016/s0960-894x(98)00342-4 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine