SOTRASTAURIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 7I279E1NZ8

Structure

InChI Key OAVGBZOFDPFGPJ-UHFFFAOYSA-N
Smiles CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1
InChI
InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22N6O2
Molecular Weight 438.49
AlogP 2.43
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 94.22
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Protein kinase C (PKC) inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 2-234 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- 1-81 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- 6.1-6.2 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- 50.12 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 870 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1-870 - - -
Mus musculus
- 128-234 - - 48

Target Conservation

Protein: Protein kinase C (PKC)
Description: Serine/threonine-protein kinase D3
Organism : Homo sapiens
O94806 ENSG00000115825
Protein: Protein kinase C (PKC)
Description: Protein kinase C gamma type
Organism : Homo sapiens
P05129 ENSG00000126583
Protein: Protein kinase C (PKC)
Description: Protein kinase C beta type
Organism : Homo sapiens
P05771 ENSG00000166501
Protein: Protein kinase C (PKC)
Description: Protein kinase C alpha type
Organism : Homo sapiens
P17252 ENSG00000154229
Protein: Protein kinase C (PKC)
Description: Protein kinase C eta type
Organism : Homo sapiens
P24723 ENSG00000027075
Protein: Protein kinase C (PKC)
Description: Protein kinase C iota type
Organism : Homo sapiens
P41743 ENSG00000163558
Protein: Protein kinase C (PKC)
Description: Protein kinase C epsilon type
Organism : Homo sapiens
Q02156 ENSG00000171132
Protein: Protein kinase C (PKC)
Description: Protein kinase C theta type
Organism : Homo sapiens
Q04759 ENSG00000065675
Protein: Protein kinase C (PKC)
Description: Protein kinase C zeta type
Organism : Homo sapiens
Q05513 ENSG00000067606
Protein: Protein kinase C (PKC)
Description: Protein kinase C delta type
Organism : Homo sapiens
Q05655 ENSG00000163932
Protein: Protein kinase C (PKC)
Description: Serine/threonine-protein kinase D1
Organism : Homo sapiens
Q15139 ENSG00000184304

Cross References

Resources Reference
ChEBI 90531
ChEMBL CHEMBL565612
DrugBank DB12369
FDA SRS 7I279E1NZ8
Guide to Pharmacology 7946
PDB LW4
PubChem 10296883
SureChEMBL SCHEMBL2500835
ZINC ZINC000003973984
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