AXL-1717

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Synonyms
Status
Molecule Category Free-form
UNII 0F35AOI227
EPA CompTox DTXSID80197245

Structure

InChI Key YJGVMLPVUAXIQN-HAEOHBJNSA-N
Smiles COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC
InChI
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22O8
Molecular Weight 414.41
AlogP 2.41
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 92.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Insulin-like growth factor I receptor inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -2.7-27.09
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - - 27.09
Equus caballus
- - - -
Homo sapiens
- 60-60 - - -
Mus musculus
- 60 - - -

Target Conservation

Protein: Insulin-like growth factor I receptor
Description: Insulin-like growth factor 1 receptor
Organism : Homo sapiens
P08069 ENSG00000140443

Related Entries

Cross References

Resources Reference
ChEBI 75251
ChEMBL CHEMBL283120
DrugBank DB12802
FDA SRS 0F35AOI227
Guide to Pharmacology 7873
SureChEMBL SCHEMBL159598
ZINC ZINC000004098919
CONTENTS