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Compound Detail

CHEMBL1744164

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CCN1CCC(C(O)c2ccc(F)cc2)CC1.O=C(O)/C=C\C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744164
Phase Preclinical
Structure Type MOL
InChI Key RQTUSKLUQDSXOA-BTJKTKAUSA-N
Parent Compound CHEMBL148128
Active Moiety CHEMBL148128
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
2.59
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
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 C18H24FNO5
MW 353.39
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
1479590 10.1021/jm00104a017 Serotonin 2 (5-HT2) receptor 1
1479590 10.1021/jm00104a017 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine