ONX-0801

Ligand id: 9590

Name: ONX-0801

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 8
Rotatable bonds 17
Topological polar surface area 234.7
Molecular weight 648.23
XLogP 0.61
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6S)-2-(hydroxymethyl)-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
Synonyms
BGC 945 | BGC-945 | N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-γ-glutamyl-d-glutamic acid 1 [3] | ONX 0801
Database Links
PubChem CID 11671880
RCSB PDB Ligand 1JY
Search Google for chemical match using the InChIKey NVHRBQOZEMFKLD-CUYJMHBOSA-N
Search Google for chemicals with the same backbone NVHRBQOZEMFKLD
Search UniChem for chemical match using the InChIKey NVHRBQOZEMFKLD-CUYJMHBOSA-N
Search UniChem for chemicals with the same backbone NVHRBQOZEMFKLD
Comments
ONX-0801 (originally named BGC 945) is a first-in-class small molecule inhibitor of thymidylate synthase (TS), that has been designed to accumulate differentially in cancer cells overexpressing the α-folate receptor [3] (FOLR1; P15328). Functionally, it resembles the TS inhibitors plevitrexed and raltitrexed. ONX-0801 is an oncology drug lead for epithelial tumours such as ovarian [1], lung and endometrial cancers, and mesothelioma tumours.