EcoDrugPlus


Synonyms	Revaprazan SB-641257 YH-1885 FREE BASE
Status
Molecule Category	Free-form
UNII	5P184180P5

Synonyms

Revaprazan

SB-641257

YH-1885 FREE BASE

Status

Molecule Category

Free-form

UNII

5P184180P5


InChI Key	LECZXZOBEZITCL-UHFFFAOYSA-N
Smiles	Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C
InChI	InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)

InChI Key

LECZXZOBEZITCL-UHFFFAOYSA-N

Smiles

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C

InChI

InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)

Property Name	Value
Molecular Formula	C22H23FN4
Molecular Weight	362.45
AlogP	5.1
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	41.05
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C22H23FN4

Molecular Weight

362.45

AlogP

5.1

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

41.05

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

27.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Sus scrofa	-	950	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Sus scrofa

950

Resources	Reference
ChEBI	135529
ChEMBL	CHEMBL1618279
DrugBank	DB16308
DrugCentral	3525
FDA SRS	5P184180P5
PubChem	204104
SureChEMBL	SCHEMBL2194461

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

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

REVAPRAZAN

Structure

Physicochemical Descriptors

Pharmacology

Cross References