ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL562
CHEMBL562
Compound Name GRISEOFULVIN
ChEMBL Synonyms GRISEOFULVIN, MICROSIZE | FULVICIN-U/F | FULVICIN P/G 165 | ULTRAGRIS-165 | GRISEOFULVIN, ULTRAMICROCRYSTALLINE | GRIS-PEG | GRISEOFULVIN,ULTRAMICROSIZE | FULVICIN P/G 330 | FULCIN 125 | FULVICIN P/G | GRISEOFULVIN, ULTRAMICROSIZE | FULCIN 500 | FULSOVIN | GRISACTIN | Griseofulvin | ULTRAGRIS-330 | Grifulvin | FULVICIN-P/G | Fulvicin | GRISEOFULVIN, MICROCRYSTALLINE | Grivate | FULCIN | GRIFULVIN V | GRISACTIN ULTRA | GRISOL AF
Max Phase 4 (Approved)
Trade Names FULVICIN P/G 165 | FULVICIN-U/F | ULTRAGRIS-165 | FULCIN | GRIFULVIN V | GRISACTIN ULTRA | GRISOL AF | FULVICIN-P/G | Fulvicin | Grivate | Grifulvin | FULCIN 500 | FULSOVIN | GRISACTIN | ULTRAGRIS-330 | FULCIN 125 | FULVICIN P/G | GRISEOFULVIN, ULTRAMICROSIZE | FULVICIN P/G 330 | GRIS-PEG | GRISEOFULVIN | GRISEOFULVIN,ULTRAMICROSIZE
Molecular Formula C17H17ClO6

Additional synonyms for CHEMBL562 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=CC(=O)C[C@@H](C)[C@]12Oc3c(Cl)c(OC)cc(OC)c3C2=O
Standard InChI InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(2 ...
Download InChI
Standard InChI Key DDUHZTYCFQRHIY-RBHXEPJQSA-N

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL562

Molecule Features

CHEMBL562 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tubulin inhibitor Tubulin ISBN PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Tinea PedisD014008EFO:0007512tinea pedis3ClinicalTrials

Clinical Data

ClinicalTrials.gov GRISEOFULVIN
The Cochrane Collaboration GRISEOFULVIN

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 CHEMBL562. 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
CHEMBL1871 Androgen Receptor Homo sapiens 0.949

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1871 Androgen Receptor Homo sapiens 0.977
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.819
CHEMBL208 Progesterone receptor Homo sapiens 0.354
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.239
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.237

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
352.8 352.0714 2.81 3 71.06 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.01 2.01 1 24 0.83

Structural Alerts

There are 4 structural alerts for CHEMBL562. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01B - ANTIFUNGALS FOR SYSTEMIC USE
D01BA - Antifungals for systemic use
D01BA01 - griseofulvin

D - DERMATOLOGICALS
D01 - ANTIFUNGALS FOR DERMATOLOGICAL USE
D01A - ANTIFUNGALS FOR TOPICAL USE
D01AA - Antibiotics
D01AA08 - griseofulvin

ChemSpider ChemSpider:DDUHZTYCFQRHIY-RBHXEPJQSA-N
DailyMed griseofulvin, microsize griseofulvin, ultramicrosize
PubChem SID: 144204638 SID: 144209433 SID: 144213322 SID: 170465739 SID: 17389865 SID: 26747301 SID: 50085968
Wikipedia Griseofulvin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL562



ACToR 126-07-8
Atlas griseofulvin
BindingDB 31775
ChEBI 27779
ChemicalBook CB1766075
DrugBank DB00400
DrugCentral 1331
eMolecules 6876977 511191 25718239
EPA CompTox Dashboard DTXSID8020674
FDA SRS 32HRV3E3D5
Human Metabolome Database HMDB0014544
IBM Patent System 0F6A69338E6119024FAEF0A9C05E1AE0 2927F28B06BE76B364243E35A05F17C8
KEGG Ligand C06686
LINCS LSM-5259
LipidMaps LMPK13060001
Mcule MCULE-1983595404 MCULE-8909987576
Metabolights MTBLC27779
MolPort MolPort-001-739-410
NIH Clinical Collection SAM002589940
Nikkaji J4.418K
PharmGKB PA449814
PubChem 441140
PubChem: Thomson Pharma 15026839 14778634
Selleck griseofulvin
SureChEMBL SCHEMBL21988
ZINC ZINC000000622123

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