CUDC-101

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Ligands
CUDC-101

Ligand id: 8894

Name: CUDC-101

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	4
Hydrogen bond donors	3
Rotatable bonds	12
Topological polar surface area	105.6
Molecular weight	434.2
XLogP	4.06
No. Lipinski's rules broken	1

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide

IUPAC Name

7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide

Synonyms
compound 8 [PMID: 20143778] \| CUDC101

Synonyms

compound 8 [PMID: 20143778] | CUDC101

Database Links
BindingDB Ligand	50307768
CAS Registry No.	1012054-59-9 (source: PubChem)
ChEMBL Ligand	CHEMBL598797
GtoPdb PubChem SID	310264675
PubChem CID	24756910
Search Google for chemical match using the InChIKey	PLIVFNIUGLLCEK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone	PLIVFNIUGLLCEK
Search UniChem for chemical match using the InChIKey	PLIVFNIUGLLCEK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone	PLIVFNIUGLLCEK

Comments
CUDC-101 is an orally available Phase I compound which is multiacting, inhibiting class I/II histone deacetylases (HDACs) but not the class III sirtuins, and the type I receptor tyrosine kinases EGFR and ERBB2 (HER2) [1]. Targeting two pathogenic pathways simultaneously is one of the strategies being evaluated to overcome problems associated with molecular heterogeneity of tumours and the development of drug resistance.

Comments

CUDC-101 is an orally available Phase I compound which is multiacting, inhibiting class I/II histone deacetylases (HDACs) but not the class III sirtuins, and the type I receptor tyrosine kinases EGFR and ERBB2 (HER2) [1]. Targeting two pathogenic pathways simultaneously is one of the strategies being evaluated to overcome problems associated with molecular heterogeneity of tumours and the development of drug resistance.