EcoDrugPlus


Synonyms	Atiprimod SKF-106615
Status
Molecule Category	Free-form
UNII	MG7D3QD743
EPA CompTox	DTXSID10153834


InChI Key	SERHTTSLBVGRBY-UHFFFAOYSA-N
Smiles	CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1
InChI	InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3

Property Name	Value
Molecular Formula	C22H44N2
Molecular Weight	336.61
AlogP	5.57
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	6.48
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	24.0

Resources	Reference
ChEMBL	CHEMBL103735
DrugBank	DB05513
FDA SRS	MG7D3QD743
PubChem	129869
SureChEMBL	SCHEMBL93890
ZINC	ZINC000001540226

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

ATIPRIMOD

Structure

Physicochemical Descriptors

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