EcoDrugPlus


Synonyms	Bucilant Bucillamine
Status
Molecule Category	Free-form
ATC	M01CC02
UNII	R80LRA5WTF
EPA CompTox	DTXSID2048587


InChI Key	VUAFHZCUKUDDBC-BYPYZUCNSA-N
Smiles	CC(C)(S)C(=O)N[C@@H](CS)C(=O)O
InChI	InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1

Property Name	Value
Molecular Formula	C7H13NO3S2
Molecular Weight	223.32
AlogP	0.19
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	66.4
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	13.0

Resources	Reference
ChEBI	31312
ChEMBL	CHEMBL80830
DrugBank	DB12160
DrugCentral	414
FDA SRS	R80LRA5WTF
PharmGKB	PA166123566
PubChem	656604
SureChEMBL	SCHEMBL121965
ZINC	ZINC000000020222

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

BUCILLAMINE

Structure

Physicochemical Descriptors

Related Entries

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