CUDC-101

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1A7Y9MP123

Structure
InChI Key PLIVFNIUGLLCEK-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 482 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 1278 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 57453 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 1090 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 2890 - - 57
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 15.7-188 739 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 3430 - - 73
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1500 - - 85
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 3200 - - 93
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 11000 - - 56
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 849 - - 64
Enzyme Kinase Protein Kinase
- 15.7-188 1090 - 56
Enzyme Lyase
- - 2867 - -
Enzyme Transferase
- - - - -16.29--8.221
Enzyme
- 15.7-188 1036 - -16.29--8.221
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 4.4-602 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 4.4-602 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 4.4-602 - - 79.53-100.67
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 4.4-602 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Liver Neoplasms 1 D008113 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1012054-59-9
ChEMBL CHEMBL598797
DrugBank DB12174
EPA CompTox DTXSID00143784
FDA SRS 1A7Y9MP123
Guide to Pharmacology 8894
PubChem 24756910
SureChEMBL SCHEMBL93769
ZINC ZINC000043196377
CONTENTS