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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL328710
CHEMBL328710
Compound Name
ChEMBL Synonyms SU-4312
Max Phase 0
Trade Names
Molecular Formula C17H16N2O

Additional synonyms for CHEMBL328710 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(\C=C\2/C(=O)Nc3ccccc23)cc1
Standard InChI InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4- ...
Download InChI
Standard InChI Key UAKWLVYMKBWHMX-PTNGSMBKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL328710

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
264.3 264.1263 3.25 2 32.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.15 4.21 3.49 3.49 2 20 0.84

Structural Alerts

There are 5 structural alerts for CHEMBL328710. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UAKWLVYMKBWHMX-PTNGSMBKSA-N
PubChem SID: 124887023 SID: 17405677 SID: 26752192 SID: 26752193 SID: 26752194 SID: 50104855 SID: 50104856 SID: 50104857 SID: 90341810

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL328710



ACToR 5812-07-7
BindingDB 17747
Brenda 18596
LINCS LSM-42906
MolPort MolPort-003-959-619
Nikkaji J2.841.841H J1.049.108H
PubChem 6450842
PubChem: Thomson Pharma 14750294
SureChEMBL SCHEMBL1982207
ZINC ZINC000012339625

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