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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL177756
CHEMBL177756
Compound Name FLUORESCEIN
ChEMBL Synonyms FLUORESCEIN, SOLUBLE | FLUOR-AMPS | Fluorescite | FUNDUSCEIN-25 | FUNDUSCEIN | URANIN | FLUORESCITE | RETINOFLUOR | Fluorescein sodium | AK-FLUOR | FLUORETS | Funduscein-25 | FLUORESCEIN
Max Phase 4 (Approved)
Trade Names Fluorescite | FLUOR-AMPS | FLUORESCITE | FUNDUSCEIN | FUNDUSCEIN-25 | AK-FLUOR | RETINOFLUOR | FLUORETS
Molecular Formula C20H12O5

Additional synonyms for CHEMBL177756 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
Standard InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-1 ...
Download InChI
Standard InChI Key YKGGGCXBWXHKIZ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • 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


CHEMBL177756

Molecule Features

CHEMBL177756 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov FLUORESCEIN
The Cochrane Collaboration FLUORESCEIN

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 CHEMBL177756. 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
CHEMBL2724 Estrogen receptor alpha Rattus norvegicus 1.000
CHEMBL3021 Estrogen receptor beta Rattus norvegicus 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 0.996
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.995
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.954
CHEMBL2996 Protein kinase C delta Homo sapiens 0.818
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.734
CHEMBL3243 Leukocyte common antigen Homo sapiens 0.607
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.594
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.341
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.327
CHEMBL3194 Transthyretin Homo sapiens 0.295
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.260



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2724 Estrogen receptor alpha Rattus norvegicus 1.000
CHEMBL3021 Estrogen receptor beta Rattus norvegicus 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.999
CHEMBL335 Protein-tyrosine phosphatase 1B Homo sapiens 0.999
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.998
CHEMBL3243 Leukocyte common antigen Homo sapiens 0.995
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.982
CHEMBL3194 Transthyretin Homo sapiens 0.968
CHEMBL3166 Protein-tyrosine phosphatase 1C Homo sapiens 0.962
CHEMBL3471 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 0.917
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.837
CHEMBL5983 Aldo-keto reductase family 1 member B10 Homo sapiens 0.792
CHEMBL3308 Caspase-6 Homo sapiens 0.722
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.553
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.509
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.483
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.466
CHEMBL1935 Aldehyde dehydrogenase Homo sapiens 0.443
CHEMBL3623 Quinone reductase 1) Homo sapiens 0.441

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
332.3 332.0685 3.97 2 87.74 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.4 - 4.8 1.94 2 25 0.54

Structural Alerts

There are 5 structural alerts for CHEMBL177756. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01J - DIAGNOSTIC AGENTS
S01JA - Colouring agents
S01JA51 - fluorescein, combinations

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01J - DIAGNOSTIC AGENTS
S01JA - Colouring agents
S01JA01 - fluorescein

ChemSpider ChemSpider:YKGGGCXBWXHKIZ-UHFFFAOYSA-N
DailyMed fluorescein sodium
PubChem SID: 29215262 SID: 29217839 SID: 48410441
Wikipedia Fluorescein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL177756



BindingDB 50143424
eMolecules 890447
IBM Patent System 8C4B4CB1FAF31740F3A86BCCA83DDC15
Mcule MCULE-8810198732
MolPort MolPort-001-783-925
Nikkaji J79.263B
PDBe FLU
PubChem 129856003 3383
PubChem: Thomson Pharma 14924384
SureChEMBL SCHEMBL107875
ZINC ZINC000003872582

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