FLUORESCEIN

Search structure
Synonyms:
Status: Approved (1976)
Entry Type: Small molecule
Molecule Category: Parent
ATC: S01JA01
UNII: TPY09G7XIR

Structure
InChI Key YKGGGCXBWXHKIZ-UHFFFAOYSA-N
Smile O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
InChI
InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H12O5
Molecular Weight 332.31
AlogP 2.84
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 72.83
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 907.4 - - -
Enzyme Oxidoreductase
- 3230 - - -
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- 600000 - - -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
19500 - - - -
Enzyme Transferase
- - - - 16.25-38.5
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 3.34-7.6
Epigenetic regulator Writer Protein methyltransferase Protein arginine methyltransferase
- 75000 - - -
Transcription factor
- 4890 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 2951.21-3000 -
Unclassified protein
- 123000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyperemia 3 D006940 ClinicalTrials
Brain Neoplasms 2 D001932 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 2321-07-5
ChEMBL CHEMBL4297067
FDA SRS TPY09G7XIR
PubChem 16850
SureChEMBL SCHEMBL2054817
CONTENTS