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
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.
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