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Compound Detail

CHEMBL49496

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O[C@H]1c2ccc(F)cc2C[C@H]1N1CCC(O)(c2cccc3c2OCCO3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49496
Phase Preclinical
Structure Type MOL
InChI Key CNUDKIHAKDLGRP-QUCCMNQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.54
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.83
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 C22H24FNO4
MW 385.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
11754589 10.1021/jm010975+ 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine