ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1488165
CHEMBL1488165
Compound Name PIDOTIMOD
ChEMBL Synonyms PIDOTIMOD
Max Phase 0
Trade Names
Molecular Formula C9H12N2O4S

Additional synonyms for CHEMBL1488165 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H]1CSCN1C(=O)[C@@H]2CCC(=O)N2
Standard InChI InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(1 ...
Download InChI
Standard InChI Key UUTKICFRNVKFRG-WDSKDSINSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1488165

Molecule Features

CHEMBL1488165 compound icon
Drug Type:Oligopeptide Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PIDOTIMOD
The Cochrane Collaboration PIDOTIMOD

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1488165. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3202 Prolyl endopeptidase Homo sapiens 1.000
CHEMBL4035 Prolyl endopeptidase Rattus norvegicus 1.000
CHEMBL3600274 Thyrotropin-releasing hormone receptor 2 Mus musculus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL3813 Dipeptidyl peptidase IV Sus scrofa 0.997
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.997
CHEMBL4653 Dipeptidyl peptidase IV Rattus norvegicus 0.981
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.950
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.943
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 0.943
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.933
CHEMBL4478 Voltage-gated N-type calcium channel alpha-1B subunit Homo sapiens 0.791
CHEMBL3369 Neprilysin Rattus norvegicus 0.559
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 0.322
CHEMBL4506 NAD-dependent deacetylase sirtuin 1 Homo sapiens 0.263



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4035 Prolyl endopeptidase Rattus norvegicus 1.000
CHEMBL2467 Thyrotropin-releasing hormone receptor Mus musculus 1.000
CHEMBL3202 Prolyl endopeptidase Homo sapiens 1.000
CHEMBL3600274 Thyrotropin-releasing hormone receptor 2 Mus musculus 1.000
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 1.000
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 1.000
CHEMBL3813 Dipeptidyl peptidase IV Sus scrofa 0.999
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.998
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.951
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.945
CHEMBL4653 Dipeptidyl peptidase IV Rattus norvegicus 0.933
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 0.889
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.830
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.455
CHEMBL3369 Neprilysin Rattus norvegicus 0.395
CHEMBL6079 Proto-oncogene protein Wnt-3 Homo sapiens 0.381

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
244.3 244.0518 -0.75 2 86.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.95 - 1.7 -1.95 0 16 0.67

Structural Alerts

There are no structural alerts for CHEMBL1488165

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L03 - IMMUNOSTIMULANTS
L03A - IMMUNOSTIMULANTS
L03AX - Other immunostimulants
L03AX05 - pidotimod

ChemSpider ChemSpider:UUTKICFRNVKFRG-WDSKDSINSA-N
PubChem SID: 144205418 SID: 26719899 SID: 49648325
Wikipedia Pidotimod

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1488165



ACToR 121808-62-6
ChEBI 94618
ChemicalBook CB9745917
DrugBank DB11364
DrugCentral 2164
eMolecules 2735632
EPA CompTox Dashboard DTXSID0046199
FDA SRS 785363R681
IBM Patent System 0DA61599FF4131F15ABA545FD4D2D9FD
LINCS LSM-5556
Mcule MCULE-8730505009 MCULE-4298342530
MolPort MolPort-002-507-380
NIH Clinical Collection SAM001246762
Nikkaji J623.605G
PubChem 65944
PubChem: Drugs of the Future 12014263
PubChem: Thomson Pharma 15196537 15122015
Selleck pidotimod
SureChEMBL SCHEMBL138407
ZINC ZINC000003781245

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