EcoDrugPlus


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

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SubStructure

Threshold (%) >= 70


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

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

Target Conservation


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

Cross References

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

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BMS-863233

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References