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Compound Detail

CHEMBL501896

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Cl.NC[C@H]1C[C@@H]1c1cccc(-c2ccc(C(F)(F)F)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501896
Phase Preclinical
Structure Type MOL
InChI Key ADFFPOQRVAHNJP-VNYZMKMESA-N
Parent Compound CHEMBL1187411
Active Moiety CHEMBL1187411
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
4.43
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.89
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 C17H17ClF3N
MW 327.78
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.36

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