INDIRUBIN

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Synonyms
Status
Molecule Category Free-form
UNII V86L8P74GI

Structure

InChI Key CRDNMYFJWFXOCH-YPKPFQOOSA-N
Smiles O=C1Nc2ccccc2/C1=C1/Nc2ccccc2C1=O
InChI
InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10N2O2
Molecular Weight 262.27
AlogP 2.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 7.97-13.7
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- - - - 8.5
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 4-600 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 4-600 - - 1-25.1
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- - - - 17.2
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- - - - 17.2
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 17.2
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- - - - 17.2
Other cytosolic protein
- - - - 1-25.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlamydia pneumoniae
- - - - 2
Electrophorus electricus
- - - - 7.97
Equus caballus
- - - - 13.7
Homo sapiens
- 4-600 - - 1-25.1
Mus musculus
- 200 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1276127
FDA SRS V86L8P74GI
PubChem 5359405
SureChEMBL SCHEMBL9899338
ZINC ZINC000018825333
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