ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL263376
CHEMBL263376
Compound Name PHENYLTHIOUREA
ChEMBL Synonyms N-Phenyl-Thiourea | Phenylthiourea | 1-Phenylthiourea | N-Phenylthiourea
Max Phase 0
Trade Names
Molecular Formula C7H8N2S

Additional synonyms for CHEMBL263376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=S)Nc1ccccc1
Standard InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
Standard InChI Key FULZLIGZKMKICU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL263376

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
152.2 152.0408 1.34 1 38.05 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.12 .75 .6 .6 1 10 0.6

Structural Alerts

There are 5 structural alerts for CHEMBL263376. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FULZLIGZKMKICU-UHFFFAOYSA-N
PubChem SID: 144208880 SID: 144213315 SID: 17388780 SID: 17389761 SID: 26752856

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL263376



ACToR 103-85-5
BindingDB 50240041
Brenda 2981 83691 68743 4195
ChEBI 46261
DrugBank DB03694
eMolecules 489600 27678509
EPA CompTox Dashboard DTXSID9021134
FDA SRS 6F82C6Q54C
IBM Patent System 2B8BEFED9EB2480E5E164B937E48C3E1
Mcule MCULE-6207378439
MolPort MolPort-000-519-517
Nikkaji J5.517D
NMRShiftDB 75005
PDBe URS
PubChem 676454
PubChem: Thomson Pharma 15120190
SureChEMBL SCHEMBL42753
ZINC ZINC000003875720

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