BMS-863233

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Search structure


Synonyms	Bms-863233 XL-413
Status
Molecule Category	UNKNOWN
UNII	8QK62S7492


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	JJWLXRKVUJDJKG-UHFFFAOYSA-N
Smiles	O=c1[nH]c(C2CCCN2)nc2c1oc1ccc(Cl)cc12
InChI	InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H12ClN3O2
Molecular Weight	289.72
AlogP	2.75
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	70.92
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	20.0

Bioactivity

Mechanism of Action	Action	Reference
Cell division cycle 7-related protein kinase inhibitor	INHIBITOR	PubMed


Protein: Cell division cycle 7-related protein kinase Description: Cell division cycle 7-related protein kinase Organism : Homo sapiens O00311 ENSG00000097046

Assay Description	Organism	Bioactivity	Reference
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	9.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	22.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	40.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	22.0 nM

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL3544943
FDA SRS	8QK62S7492
PubChem	135564632
ChEMBL	CHEMBL3544944
FDA SRS	8QK62S7492
PubChem	135564632

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).