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

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.

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