EcoDrugPlus


Synonyms	RO5028442 Ro-5028442 Ro5028442
Status
Molecule Category	Free-form
UNII	LZ0EU1YHCK

Synonyms

RO5028442

Ro-5028442

Ro5028442

Status

Molecule Category

Free-form

UNII

LZ0EU1YHCK


InChI Key	QZXVLRCMAHJVIP-UHFFFAOYSA-N
Smiles	CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21
InChI	InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3

InChI Key

QZXVLRCMAHJVIP-UHFFFAOYSA-N

Smiles

CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21

InChI

InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3

Property Name	Value
Molecular Formula	C25H28ClN3O2
Molecular Weight	437.97
AlogP	4.52
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	37.71
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C25H28ClN3O2

Molecular Weight

437.97

AlogP

4.52

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

37.71

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

31.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor	-	2-2	-	1-39

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor

2-2

1-39

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	2-2	-	1-5.5
Mus musculus	-	-	-	39	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

2-2

1-5.5

Mus musculus

Resources	Reference
CAS NUMBER	920022-47-5
ChEMBL	CHEMBL3416885
DrugBank	DB12721
FDA SRS	LZ0EU1YHCK
PubChem	59657596
SureChEMBL	SCHEMBL4361592

Resources

Reference

CAS NUMBER

ChEMBL

DrugBank

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 27^th July 2026

RO-5028442

Structure

Physicochemical Descriptors

Pharmacology

Cross References