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Compound Detail

CHEMBL312664

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C[C@H]1NCCC[C@@H]1c1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312664
Phase Preclinical
Structure Type MOL
InChI Key VECWJXNXCMCBRR-SFYZADRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

165.2
MW (Da)
1.27
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.66
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 C9H15N3
MW 165.24
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
9871662 10.1016/s0960-894x(98)00020-1 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine