URB-597

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PX47LB88FO

Structure
InChI Key ROFVXGGUISEHAM-UHFFFAOYSA-N
Smile NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChI
InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N2O3
Molecular Weight 338.41
AlogP 3.87
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 81.42
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1-240 - 1 8-100
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 1100 - - -
Ion channel Voltage-gated ion channel Transient receptor potential channel
100-24500 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 1 D012559 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL184238
EPA CompTox DTXSID70203046
FDA SRS PX47LB88FO
Guide to Pharmacology 4339
PubChem 1383884
SureChEMBL SCHEMBL93842
ZINC ZINC000001238258
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