LB-102

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N81WKW91XF

Structure
InChI Key NXKXZXNNWRYXRE-UHFFFAOYSA-N
Smile CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(NC)cc1OC
InChI
InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20-18(22)14-10-17(26(23,24)6-2)15(19-3)11-16(14)25-4/h10-11,13,19H,5-9,12H2,1-4H3,(H,20,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H29N3O4S
Molecular Weight 383.51
AlogP 1.74
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 87.74
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 8.2-8.9 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594422
FDA SRS N81WKW91XF
PubChem 134542980
SureChEMBL SCHEMBL20189909
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