PF-04455242

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Y3530Z78QD

Structure
InChI Key OWVIKBRKPCTDEP-UHFFFAOYSA-N
Smile CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1
InChI
InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28N2O2S
Molecular Weight 372.53
AlogP 3.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 49.41
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 2400 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 1-3 82

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bipolar Disorder 1 D001714 ClinicalTrials
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1818341
EPA CompTox DTXSID30152783
FDA SRS Y3530Z78QD
SureChEMBL SCHEMBL3212512
ZINC ZINC000068197070
CONTENTS