EcoDrugPlus


Synonyms	Ceftriaxon Ceftriaxone
Status
Molecule Category	Free-form
ATC	J01DD04
UNII	75J73V1629
EPA CompTox	DTXSID0022773


InChI Key	VAAUVRVFOQPIGI-SPQHTLEESA-N
Smiles	CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1
InChI	InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1

Property Name	Value
Molecular Formula	C18H18N8O7S3
Molecular Weight	554.59
AlogP	-1.2
Hydrogen Bond Acceptor	15.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	215.22
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	36.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Unclassified protein	-	-	530	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Escherichia coli	-	290	-	-	-
Homo sapiens	-	-	530	-	-
Rattus norvegicus	-	-	-	-	4.7
Streptococcus pneumoniae	-	500	-	-	-

Resources	Reference
ChEBI	29007
ChEMBL	CHEMBL161
DrugBank	DB01212
DrugCentral	564
FDA SRS	75J73V1629
Human Metabolome Database	HMDB0015343
Guide to Pharmacology	5326
KEGG	C06683
PharmGKB	PA448866
PubChem	5479530
SureChEMBL	SCHEMBL23354
ZINC	ZINC000028467879

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

CEFTRIAXONE

Structure

Physicochemical Descriptors

Pharmacology

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