EcoDrugPlus


Synonyms	(r)-melphalan melphalan
Status
Molecule Category	Free-form
UNII	94H892992X
EPA CompTox	DTXSID00893737


InChI Key	SGDBTWWWUNNDEQ-GFCCVEGCSA-N
Smiles	N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
InChI	InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m1/s1

Property Name	Value
Molecular Formula	C13H18Cl2N2O2
Molecular Weight	305.21
AlogP	1.93
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	66.56
Molecular species	ZWITTERION
Aromatic Rings	1.0
Heavy Atoms	19.0

Resources	Reference
ChEMBL	CHEMBL250892
FDA SRS	94H892992X
KEGG	C19442
SureChEMBL	SCHEMBL5873
ZINC	ZINC000000001661

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

(R)-MELPHALAN

Structure

Physicochemical Descriptors

Related Entries

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