prexasertib

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Ligands
prexasertib

Ligand id: 9549

Name: prexasertib

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	8
Topological polar surface area	134.76
Molecular weight	365.16
XLogP	1.3
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

IUPAC Name

5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

International Nonproprietary Names
INN number	INN
10276	prexasertib

Synonyms
LY2606368

Synonyms

LY2606368

Database Links
CAS Registry No.	1234015-52-1 (source: WHO INN record)
ChEMBL Ligand	CHEMBL3544911
GtoPdb PubChem SID	336446935
PubChem CID	46700756
Search Google for chemical match using the InChIKey	DOTGPNHGTYJDEP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone	DOTGPNHGTYJDEP
Search PubMed clinical trials	prexasertib
Search PubMed titles	prexasertib
Search PubMed titles/abstracts	prexasertib
Search UniChem for chemical match using the InChIKey	DOTGPNHGTYJDEP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone	DOTGPNHGTYJDEP

Comments
Prexasertib (LY2606368), an investigational small molecule checkpoint kinase 1 (CHK1) inhibitor [2] that exhibits anti-tumour activity in preclinical models of pediatric cancer.

Comments

Prexasertib (LY2606368), an investigational small molecule checkpoint kinase 1 (CHK1) inhibitor [2] that exhibits anti-tumour activity in preclinical models of pediatric cancer.