EcoDrugPlus


Synonyms	(r,r)-labetalol Dilevalol Labetalol (r,r)-form
Status
Molecule Category	Free-form
UNII	P6629XE33T
EPA CompTox	DTXSID2043828


InChI Key	SGUAFYQXFOLMHL-ACJLOTCBSA-N
Smiles	C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1
InChI	InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)/t13-,18+/m1/s1

Property Name	Value
Molecular Formula	C19H24N2O3
Molecular Weight	328.41
AlogP	2.14
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	95.58
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	24.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	295.12	-

Resources	Reference
ChEBI	94471
ChEMBL	CHEMBL27193
DrugCentral	894
FDA SRS	P6629XE33T
PubChem	134044
SureChEMBL	SCHEMBL79468
ZINC	ZINC000000004319

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

DILEVALOL

Structure

Physicochemical Descriptors

Pharmacology

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