LY-2940094

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4I67US2V8Q

Structure
InChI Key NKQHBJNRBKHUQR-UHFFFAOYSA-N
Smile Cc1nn(-c2ncccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12
InChI
InChI=1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23ClF2N4O2S
Molecular Weight 480.97
AlogP 4.4
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 63.41
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Nociceptin receptor antagonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 2 D010300 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3304244
DrugBank DB16048
FDA SRS 4I67US2V8Q
Guide to Pharmacology 9462
PubChem 52914971
SureChEMBL SCHEMBL1807310
ZINC ZINC000117173324
CONTENTS