EcoDrugPlus


Trade Names	CYCLACILLIN CYCLAPEN-W
Synonyms	Calthor Ciclacillin Cyclacillin Cyclapen Cyclapen-w NSC-88789 Vastcillin Vasticillin WY-4508
Status
Molecule Category	Free-form
UNII	72ZJ154X86
EPA CompTox	DTXSID9022861


InChI Key	HGBLNBBNRORJKI-WCABBAIRSA-N
Smiles	CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O
InChI	InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1

Property Name	Value
Molecular Formula	C15H23N3O4S
Molecular Weight	341.43
AlogP	0.28
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	112.73
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	23.0

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

Resources	Reference
ChEBI	31444
ChEMBL	CHEMBL1200356
DrugBank	DB01000
DrugCentral	632
FDA SRS	72ZJ154X86
Human Metabolome Database	HMDB0015135
Guide to Pharmacology	4817
KEGG	C12766
PharmGKB	PA164743456
PubChem	19003
SureChEMBL	SCHEMBL33900
ZINC	ZINC000003830609

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

CYCLACILLIN

Structure

Physicochemical Descriptors

Pharmacology

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