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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL374975
CHEMBL374975
Compound Name FUSIDIC ACID
ChEMBL Synonyms SODIUM FUSIDATE | Fucidine | SQ 16360 | FUCIDIN CAVIJECT | Fusidic Acid Sodium | SQ 16,603 | FUSIDIC ACID | FUSIDATE SODIUM | FUCITHALMIC
Max Phase 4 (Approved)
Trade Names FUCIDIN CAVIJECT | FUCITHALMIC | Fucidine
Molecular Formula C31H48O6

Additional synonyms for CHEMBL374975 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[ ...
Download SMILES
Standard InChI InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34) ...
Download InChI
Standard InChI Key IECPWNUMDGFDKC-MZJAQBGESA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL374975

Molecule Features

CHEMBL374975 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
KeloidD007627EFO:0004212Keloid3ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma3ClinicalTrials

Clinical Data

ClinicalTrials.gov FUSIDIC ACID
The Cochrane Collaboration FUSIDIC ACID

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 CHEMBL374975. 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
CHEMBL3262 Lanosterol synthase Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.997
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.974
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.964
CHEMBL3056 Androgen Receptor Mus musculus 0.959
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.953
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.928
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.448
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.244



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL3262 Lanosterol synthase Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.997
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.994
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.983
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.981
CHEMBL3775 Dual specificity phosphatase Cdc25A Homo sapiens 0.944
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.858
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.790
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 0.780
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.401
CHEMBL237 Kappa opioid receptor Homo sapiens 0.311
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.302
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.300
CHEMBL3056 Androgen Receptor Mus musculus 0.209

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
516.7 516.3451 5.67 5 104.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 2 6 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.1 - 5.76 2.56 0 37 0.25

Structural Alerts

There are 4 structural alerts for CHEMBL374975. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D06 - ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
D06A - ANTIBIOTICS FOR TOPICAL USE
D06AX - Other antibiotics for topical use
D06AX01 - fusidic acid

D - DERMATOLOGICALS
D09 - MEDICATED DRESSINGS
D09A - MEDICATED DRESSINGS
D09AA - Medicated dressings with antiinfectives
D09AA02 - fusidic acid

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01A - ANTIINFECTIVES
S01AA - Antibiotics
S01AA13 - fusidic acid

J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XC - Steroid antibacterials
J01XC01 - fusidic acid

ChemSpider ChemSpider:IECPWNUMDGFDKC-MZJAQBGESA-N
Wikipedia Fusidic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL374975



ACToR 6990-06-3
BindingDB 58924
ChEBI 29013
ChemicalBook CB8431174
DrugBank DB02703
DrugCentral 1261
eMolecules 17497561
EPA CompTox Dashboard DTXSID0023086
FDA SRS 59XE10C19C
Human Metabolome Database HMDB0015570
LipidMaps LMPR0106040001
Metabolights MTBLC29013
MolPort MolPort-006-117-806
Nikkaji J16.166G
PDBe FUA
PharmGKB PA164749648
PubChem 3000226
PubChem: Thomson Pharma 24702594
SureChEMBL SCHEMBL25646
ZINC ZINC000008143796

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