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Compound Detail

CHEMBL312613

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c1ccc(C[C@H]2NCC[C@@H]2c2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312613
Phase Preclinical
Structure Type MOL
InChI Key AZAIJUCKUCTDOT-QWHCGFSZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
2.10
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3
MW 227.31
Aromatic Rings 2
Heavy Atoms 17
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