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Compound Detail

CHEMBL475383

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Cl.NC[C@H]1C[C@@H]1c1ccccc1NC(=O)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475383
Phase Preclinical
Structure Type MOL
InChI Key YOCZZHSWAYGTIP-BTAXJDQBSA-N
Parent Compound CHEMBL1186719
Active Moiety CHEMBL1186719
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.8
MW (Da)
4.05
ALogP
2
HBA
3
HBD
67.2
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 C17H19Cl2N3O
MW 352.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2C 2
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2A 2
19284718 10.1021/jm801354e 5-hydroxytryptamine receptor 2B 2

Data from ChEMBL 36 via Core Engine