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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200979
CHEMBL1200979
Compound Name DEXPANTHENOL
ChEMBL Synonyms ILOPAN | D-PANTOTHENYL ALCOHOL | MOTILYN | PANTOTHENOL | D-PANTHENOL | D-PANTHENOL 50 | (+)-PANTHENOL | DEXPANTHENOL
Max Phase 4 (Approved)
Trade Names D-PANTHENOL 50 | ILOPAN | MOTILYN
Molecular Formula C9H19NO4

Additional synonyms for CHEMBL1200979 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(CO)[C@@H](O)C(=O)NCCCO
Standard InChI InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13 ...
Download InChI
Standard InChI Key SNPLKNRPJHDVJA-ZETCQYMHSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200979

Molecule Features

CHEMBL1200979 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov DEXPANTHENOL
The Cochrane Collaboration DEXPANTHENOL

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 CHEMBL1200979. 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
CHEMBL6056 Renin Callithrix jacchus 1.000
CHEMBL4106 Cathepsin D Bos taurus 0.993
CHEMBL2714 Pepsin A Sus scrofa 0.902
CHEMBL2581 Cathepsin D Homo sapiens 0.744
CHEMBL4130 Endothelin receptor ET-A Sus scrofa 0.674
CHEMBL2676 Endothelin-converting enzyme 1 Rattus norvegicus 0.502
CHEMBL4506 NAD-dependent deacetylase sirtuin 1 Homo sapiens 0.500
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 0.499
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.266
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.216



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6056 Renin Callithrix jacchus 1.000
CHEMBL4106 Cathepsin D Bos taurus 0.996
CHEMBL3399 Sodium channel protein type II alpha subunit Rattus norvegicus 0.993
CHEMBL2714 Pepsin A Sus scrofa 0.964
CHEMBL2581 Cathepsin D Homo sapiens 0.904
CHEMBL4130 Endothelin receptor ET-A Sus scrofa 0.692
CHEMBL4506 NAD-dependent deacetylase sirtuin 1 Homo sapiens 0.382
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.319
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 0.305
CHEMBL4414 Plasmepsin 2 Plasmodium falciparum 0.260
CHEMBL4461 NAD-dependent deacetylase sirtuin 3 Homo sapiens 0.219
CHEMBL1829 Histone deacetylase 3 Homo sapiens 0.207
CHEMBL4117 Zinc aminopeptidase Plasmodium falciparum FcB1/Columbia 0.202

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
205.3 205.1314 -1.27 6 89.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.03 - -.99 -.99 0 14 0.41

Structural Alerts

There are 2 structural alerts for CHEMBL1200979. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A11 - VITAMINS
A11H - OTHER PLAIN VITAMIN PREPARATIONS
A11HA - Other plain vitamin preparations
A11HA30 - dexpanthenol

D - DERMATOLOGICALS
D03 - PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
D03A - CICATRIZANTS
D03AX - Other cicatrizants
D03AX03 - dexpanthenol

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01X - OTHER OPHTHALMOLOGICALS
S01XA - Other ophthalmologicals
S01XA12 - dexpanthenol

ChemSpider ChemSpider:SNPLKNRPJHDVJA-ZETCQYMHSA-N
DailyMed dexpanthenol
PubChem SID: 170464647
Wikipedia Panthenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200979



Brenda 8343 44663
ChEBI 27373
DrugBank DB09357
DrugCentral 838
eMolecules 530368
EPA CompTox Dashboard DTXSID3022906
FDA SRS 1O6C93RI7Z
IBM Patent System F0CFA24015D81615C549A54E3C4008EC
KEGG Ligand C05944
LINCS LSM-6650
LipidMaps LMFA08020198
MolPort MolPort-003-666-677
Nikkaji J4.605A
PubChem 131204
PubChem: Thomson Pharma 14797589
SureChEMBL SCHEMBL15861
ZINC ZINC000001530303

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