EcoDrugPlus


Trade Names	V-CILLIN
Synonyms	Distaquaine v Penapar-VK Penicillin phenoxymethyl Penicillin v Penicillin-VK Phenomycilline Phenoxymethylpenicillin Phenoxymethylpenicillinum V-cillin Vebecillin Veetids
Status
Molecule Category	Free-form
UNII	Z61I075U2W
EPA CompTox	DTXSID3023429


InChI Key	BPLBGHOLXOTWMN-MBNYWOFBSA-N
Smiles	CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O
InChI	InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1

Property Name	Value
Molecular Formula	C16H18N2O5S
Molecular Weight	350.4
AlogP	0.7
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	95.94
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	24.0

Mechanism of Action	Action	Reference
Bacterial penicillin-binding protein inhibitor	INHIBITOR	DailyMed Wikipedia

Resources	Reference
ChEBI	27446
ChEMBL	CHEMBL615
DrugBank	DB00417
DrugCentral	2083
FDA SRS	Z61I075U2W
Human Metabolome Database	HMDB0014561
Guide to Pharmacology	10920
KEGG	C08126
PDB	PNV
PharmGKB	PA164745442
PubChem	6869
SureChEMBL	SCHEMBL49223
ZINC	ZINC000003831282

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

PENICILLIN V

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References