EcoDrugPlus


Synonyms	3,3'-iminobispropylamine 3,3'-iminodipropylamine 4-azaheptamethylenediamine Caldine Dipropylamine, 3,3'-diamino- Dipropylenetriamine GR 43659X GR-43659X Lacidipine Molap Motens NSC-7773
Status
Molecule Category	Free-form
ATC	C08CA09
UNII	260080034N
EPA CompTox	DTXSID1046429


InChI Key	GKQPCPXONLDCMU-CCEZHUSRSA-N
Smiles	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C
InChI	InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+

Property Name	Value
Molecular Formula	C26H33NO6
Molecular Weight	455.55
AlogP	4.4
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	90.93
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	33.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	0

Resources	Reference
ChEBI	135737
ChEMBL	CHEMBL460291
DrugBank	DB09236
DrugCentral	1532
FDA SRS	260080034N
PubChem	5311217
SureChEMBL	SCHEMBL49277
ZINC	ZINC000100015470

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

LACIDIPINE

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Pharmacology

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