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Compound Detail

CHEMBL596528

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Cl.O=C(O)[C@@H]1C[C@H](F)CN1CCC=C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596528
Phase Preclinical
Structure Type MOL
InChI Key PYNVAQCIVBRKTO-MKSBGGEFSA-N
Parent Compound CHEMBL1198119
Active Moiety CHEMBL1198119
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
4.01
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClFNO2
MW 375.87
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
19703775 10.1016/j.bmc.2009.08.010 Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine