PHENOTHRIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P03AC03
UNII: 707484X33X

Structure
InChI Key SBNFWQZLDJGRLK-UHFFFAOYSA-N
Smile CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C
InChI
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26O3
Molecular Weight 350.46
AlogP 5.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 107

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34916
ChEMBL CHEMBL1322884
DrugBank DB13717
DrugCentral 4686
EPA CompTox DTXSID7032688
FDA SRS 707484X33X
KEGG C14387
PubChem 4767
SureChEMBL SCHEMBL74649
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