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Compound Detail

CHEMBL2103862

BAVISANT
🧪 Phase II
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🧪 Phase II
O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1

Basic Information

ChEMBL ID CHEMBL2103862
Name BAVISANT
Phase Phase II
Structure Type MOL
InChI Key BGBVSGSIXIIREO-UHFFFAOYSA-N

Known Names

Bavisant JNJ-31001074
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
2
Known Names
2
Indications
1
Mechanisms

Molecular Properties

329.4
MW (Da)
1.44
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -isant
USAN Year 2010

Extended Properties

Molecular Formula C19H27N3O2
MW 329.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.65

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Histamine H3 receptor antagonist ANTAGONIST Histamine H3 receptor

Indications

Alcoholism Attention Deficit Disorder with Hyperactivity

Activity Summary

Ki 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 8.3 8.285 5.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
26731168 10.1016/j.ejmech.2015.12.005 Histamine H3 receptor 1
38393759 10.1021/acs.jmedchem.3c02117 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine