APABETALONE

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Search structure


Synonyms	Apabetalone RVX-000222 RVX-208 RVX000222
Status
Molecule Category	Free-form
UNII	8R4A7GDZ1D
EPA CompTox	DTXSID90146502

Structure


InChI Key	NETXMUIMUZJUTB-UHFFFAOYSA-N
Smiles	COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1
InChI	InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H22N2O5
Molecular Weight	370.41
AlogP	2.6
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	93.67
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
Bromodomain and extra-terminal motif (BET) inhibitor	INHIBITOR	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Epigenetic regulator Reader Bromodomain	-	40-708	130-708	-	25-84

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	40-708	130-708	-	25-84
Mus musculus	-	-	-	-	9.17

Cross References

Resources	Reference
ChEMBL	CHEMBL2393130
DrugBank	DB12000
FDA SRS	8R4A7GDZ1D
Guide to Pharmacology	7034
PDB	1K0
SureChEMBL	SCHEMBL17002023
ZINC	ZINC000043199551

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...

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Last update: Monday, 3 November 2025