ABC-294640

/static/temp/default.svg

Search structure


Synonyms	ABC 294640 Abc-294640 Abc294640 Opaganib
Status
Molecule Category	Free-form
UNII	DRG21OQ517

Structure


InChI Key	CAOTVXGYTWCKQE-UHFFFAOYSA-N
Smiles	O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2
InChI	InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H25ClN2O
Molecular Weight	380.92
AlogP	4.89
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	41.99
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Sphingosine kinase 2 inhibitor	INHIBITOR	PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	40

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	40-50

Target Conservation


Protein: Sphingosine kinase 2 Description: Sphingosine kinase 2 Organism : Homo sapiens Q9NRA0 ENSG00000063176

Cross References

Resources	Reference
ChEBI	124965
ChEMBL	CHEMBL2158685
DrugBank	DB12764
FDA SRS	DRG21OQ517
Guide to Pharmacology	6624
SureChEMBL	SCHEMBL1548333

CONTENTS

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