EcoDrugPlus


Synonyms	Havapen Penamecillin WY-20,788 WY-20788
Status
Molecule Category	Free-form
ATC	J01CE06
UNII	H0P1YE5581
EPA CompTox	DTXSID10243547


InChI Key	NLOOMWLTUVBWAW-HLLBOEOZSA-N
Smiles	CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C
InChI	InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1

Property Name	Value
Molecular Formula	C19H22N2O6S
Molecular Weight	406.46
AlogP	0.84
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	102.01
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	28.0

Mechanism of Action	Action	Reference
Bacterial penicillin-binding protein inhibitor	INHIBITOR	Other PubMed

Resources	Reference
ChEBI	131733
ChEMBL	CHEMBL2106988
DrugBank	DB13739
DrugCentral	2077
FDA SRS	H0P1YE5581
PubChem	10250769
SureChEMBL	SCHEMBL33895
ZINC	ZINC000004217248

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

PENAMECILLIN

Structure

Physicochemical Descriptors

Pharmacology

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