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Compound Detail

CHEMBL378946

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Clc1ccc(Cl)c(-c2ccnc(N3C[C@@H]4CCN[C@@H]4C3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378946
Phase Preclinical
Structure Type MOL
InChI Key YCYWLCIZCILZPB-ZUZCIYMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.2
MW (Da)
3.25
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16Cl2N4
MW 335.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
16546379 10.1016/j.bmcl.2006.03.007 5-hydroxytryptamine receptor 2C 1
19464901 10.1016/j.bmc.2009.05.003 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine