CUDC-101

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 1A7Y9MP123
EPA CompTox DTXSID00143784

Structure

InChI Key PLIVFNIUGLLCEK-UHFFFAOYSA-N
Smiles C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1
InChI
InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N4O4
Molecular Weight 434.5
AlogP 4.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 105.6
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 2.4-16.4 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 840 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 849 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 4.4-79.8 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 4.4-373 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 4.4-398.11 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 4.4-4.4 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.4-800 - - -

Target Conservation

Protein: Histone deacetylase
Description: Histone deacetylase 3
Organism : Homo sapiens
O15379 ENSG00000171720
Protein: Epidermal growth factor receptor erbB1
Description: Epidermal growth factor receptor
Organism : Homo sapiens
P00533 ENSG00000146648
Protein: Receptor protein-tyrosine kinase erbB-2
Description: Receptor tyrosine-protein kinase erbB-2
Organism : Homo sapiens
P04626 ENSG00000141736
Protein: Histone deacetylase
Description: Histone deacetylase 1
Organism : Homo sapiens
Q13547 ENSG00000116478
Protein: Histone deacetylase
Description: Histone deacetylase 7
Organism : Homo sapiens
Q8WUI4 ENSG00000061273
Protein: Histone deacetylase
Description: Histone deacetylase 2
Organism : Homo sapiens
Q92769 ENSG00000196591
Protein: Histone deacetylase
Description: Polyamine deacetylase HDAC10
Organism : Homo sapiens
Q969S8 ENSG00000100429
Protein: Histone deacetylase
Description: Histone deacetylase 11
Organism : Homo sapiens
Q96DB2 ENSG00000163517
Protein: Histone deacetylase
Description: Histone deacetylase 8
Organism : Homo sapiens
Q9BY41 ENSG00000147099
Protein: Histone deacetylase
Description: Histone deacetylase 6
Organism : Homo sapiens
Q9UBN7 ENSG00000094631
Protein: Histone deacetylase
Description: Histone deacetylase 9
Organism : Homo sapiens
Q9UKV0 ENSG00000048052
Protein: Histone deacetylase
Description: Histone deacetylase 5
Organism : Homo sapiens
Q9UQL6 ENSG00000108840

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL598797
DrugBank DB12174
FDA SRS 1A7Y9MP123
Guide to Pharmacology 8894
PubChem 24756910
SureChEMBL SCHEMBL93769
ZINC ZINC000043196377
CONTENTS