EMAPUNIL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OG837L732J

Structure
InChI Key NBMBIEOUVBHEBM-UHFFFAOYSA-N
Smile CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21
InChI
InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23N5O2
Molecular Weight 401.47
AlogP 2.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 73.02
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Translocator protein agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 2.072
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -3.86-31.17
Membrane receptor
- - - 0.2-0.6 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anxiety 2 D001007 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL513922
DrugBank DB12666
EPA CompTox DTXSID40177220
FDA SRS OG837L732J
Guide to Pharmacology 8704
PubChem 6433109
SureChEMBL SCHEMBL4757030
ZINC ZINC000000602486
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