ATICAPRANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DE4G8X55F5

Structure
InChI Key ZHPMYDSXGRRERG-DEOSSOPVSA-N
Smile Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1
InChI
InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H27FN2O2
Molecular Weight 418.51
AlogP 5.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 55.56
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Kappa opioid receptor antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 1-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Tobacco Use Disorder 2 D014029 ClinicalTrials
Depressive Disorder, Treatment-Resistant 2 D061218 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Anxiety 1 D001007 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1921847
DrugBank DB12341
EPA CompTox DTXSID90151777
FDA SRS DE4G8X55F5
Guide to Pharmacology 9194
PubChem 44129648
SureChEMBL SCHEMBL2638855
ZINC ZINC000043206677
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