Compound Detail
CHEMBL161
CEFTRIAXONE 💊 Approved Drug
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💊 Approved Drug
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
Basic Information
| ChEMBL ID | CHEMBL161 |
| Name | CEFTRIAXONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VAAUVRVFOQPIGI-SPQHTLEESA-N |
| Therapeutic | ✓ Yes |
8
Targets
13
Activities
3
Assay Types
24
PK Parameters
20
Publications
3
Known Names
20
Indications
Molecular Properties
554.6
MW (Da)
-1.20
ALogP
15
HBA
4
HBD
215.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1984 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Amyotrophic Lateral Sclerosis Gonorrhea Infections Influenza, Human Lyme Disease Peritonitis Pneumonia Pneumonia, Bacterial Sepsis Severe Acute Respiratory Syndrome Urinary Tract Infections Appendicitis Bipolar Disorder Borrelia Infections Cholangitis Colitis, Ulcerative Dysentery, Bacillary Endocarditis Endometritis
ATC Classification
J01DD04
ceftriaxone
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
J01DD54
ceftriaxone, combinations
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 9 meas. best 6.54
Ki 3 meas. best 6.64
Kd 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1641347 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Streptococcus pneumoniae CHEMBL347 | IC50 | 6.3 | 5.72 | 500.0 | 3 |
| Alpha-synuclein CHEMBL6152 | Kd | 6.28 | 6.28 | 530.0 | 1 |
| Solute carrier family 22 member 11 CHEMBL2073677 | Ki | 5.62 | 5.62 | 2380.0 | 1 |
| Organic anion transporter 3 CHEMBL1641348 | Ki | 5.36 | 5.36 | 4390.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cytochrome P450 2J2 CHEMBL3491 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 60800.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 21900.0 | ng.hr.mL-1 | Macaca mulatta |
| CL | 0.26 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.26 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.24 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.26 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.45 | mL.min-1.kg-1 | Macaca |
| CL | 4.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 2.907 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 2.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 12.73 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.82 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.933 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.07 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.49 | mL.min-1.kg-1 | Mus musculus |
| CL | 0.77 | mL.min-1.kg-1 | Macaca mulatta |
| Fu | 0.052 | - | Homo sapiens |
| Fu | 0.052 | - | Homo sapiens |
| MRT | 5.4 | hr | Homo sapiens |
| T1/2 | 8.6 | hr | Homo sapiens |
| T1/2 | 0.64 | hr | Mus musculus |
| T1/2 | 1.95 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine