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Compound Detail

CHEMBL1783969

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CN1CCc2c(c3cc(C(=O)O)ccc3n2CCc2ccncc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1783969
Phase Preclinical
Structure Type MOL
InChI Key HJSAIEMTRYMFMF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.97
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.80
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 C20H21N3O2
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
19443217 10.1016/j.bmcl.2009.04.128 Histamine H1 receptor 2
19443217 10.1016/j.bmcl.2009.04.128 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine