EcoDrugPlus


Synonyms	Combelen NSC-31447 Promazine
Status
Molecule Category	Free-form
ATC	N05AA03
UNII	O9M39HTM5W
EPA CompTox	DTXSID2023517


InChI Key	ZGUGWUXLJSTTMA-UHFFFAOYSA-N
Smiles	CN(C)CCCN1c2ccccc2Sc2ccccc21
InChI	InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

Property Name	Value
Molecular Formula	C17H20N2S
Molecular Weight	284.43
AlogP	4.24
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	6.48
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	65.3
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	130	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	79.2

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	-	65.3
Homo sapiens	-	-	-	-	79.2
Plasmodium falciparum K1	-	500	-	-	-

Resources	Reference
ChEBI	8459
ChEMBL	CHEMBL564
DrugBank	DB00420
DrugCentral	2284
FDA SRS	O9M39HTM5W
Human Metabolome Database	HMDB0014564
Guide to Pharmacology	7281
KEGG	C07379
PDB	P2Z
PharmGKB	PA451126
PubChem	4926
SureChEMBL	SCHEMBL140489
ZINC	ZINC000000010402

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

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