RG-7603

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Synonyms
Status
Molecule Category Free-form
UNII 579255I6O9
EPA CompTox DTXSID40152996

Structure

InChI Key RGJOJUGRHPQXGF-INIZCTEOSA-N
Smiles CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1
InChI
InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32N6O3
Molecular Weight 452.56
AlogP 2.27
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 91.85
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase mTOR inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 3.8-39 - 3.8 59
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.8-567 - 3.8 59

Target Conservation

Protein: Serine/threonine-protein kinase mTOR
Description: Serine/threonine-protein kinase mTOR
Organism : Homo sapiens
P42345 ENSG00000198793

Cross References

Resources Reference
ChEMBL CHEMBL2331680
DrugBank DB13072
FDA SRS 579255I6O9
SureChEMBL SCHEMBL1831520
ZINC ZINC000095587536
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