EcoDrugPlus


Synonyms	AH-5158A FREE BASE Ibidomide Labetalol Normodyne Normozide SCH-15719W FREE BASE Trandate
Status
Molecule Category	Free-form
ATC	C07AG01
UNII	R5H8897N95
EPA CompTox	DTXSID2023191


InChI Key	SGUAFYQXFOLMHL-UHFFFAOYSA-N
Smiles	CC(CCc1ccccc1)NCC(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)

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 Adrenergic receptor	-	-	31.62-158.49	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	31.62-39.81	-	-
Homo sapiens	-	-	-	-	35.6-38.1
Oryctolagus cuniculus	-	-	158.49	-	-

Resources	Reference
ChEBI	167638
ChEMBL	CHEMBL429
DrugBank	DB00598
DrugCentral	1531
FDA SRS	R5H8897N95
Human Metabolome Database	HMDB0014736
Guide to Pharmacology	7207
KEGG	C07063
PharmGKB	PA164743150
PubChem	3869
SureChEMBL	SCHEMBL4582

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

LABETALOL

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Pharmacology

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