adavosertib

Ligand id: 7702

Name: adavosertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 100.96
Molecular weight 500.26
XLogP 2.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
International Nonproprietary Names
INN number INN
10667 adavosertib
Synonyms
AZD 1775 | AZD-1775 | AZD1775 | MK-1775 | MK1775
Comments
Adavosertib (AZD1775) inhibits WEE1 G2 checkpoint kinase. It was developed as a potential adjunctive therapeutic for advanced solid tumours. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox.
Database Links
CAS Registry No. 955365-80-7
ChEMBL Ligand CHEMBL1976040
GtoPdb PubChem SID 223366035
PubChem CID 24856436
RCSB PDB Ligand 8X7
Search Google for chemical match using the InChIKey BKWJAKQVGHWELA-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey BKWJAKQVGHWELA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BKWJAKQVGHWELA