ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22778
CHEMBL22778
Compound Name
ChEMBL Synonyms UH-301
Max Phase 0
Trade Names
Molecular Formula C16H24FNO

Additional synonyms for CHEMBL22778 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1
Standard InChI InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19 ...
Download InChI
Standard InChI Key FNKBVTBXFLSTPB-LBPRGKRZSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL22778

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
265.4 265.1842 3.51 5 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.57 9.14 3.81 2.23 1 19 0.88

Structural Alerts

There are 1 structural alerts for CHEMBL22778. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FNKBVTBXFLSTPB-LBPRGKRZSA-N
PubChem SID: 11111940 SID: 11111941 SID: 50111273 SID: 90340746

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22778



BindingDB 50013019
FDA SRS 1G916IMD7L
Guide to Pharmacology 61
Nikkaji J322.179B
PubChem 122187
PubChem: Thomson Pharma 15221701 14799115
SureChEMBL SCHEMBL5658541
ZINC ZINC000003874895

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FNKBVTBXFLSTPB-LBPRGKRZSA-N spacer
spacer