Compound Detail
CHEMBL1095284
CEFATRIZINE 🧪 Phase II
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🧪 Phase II
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3c[nH]nn3)CS[C@H]12)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL1095284 |
| Name | CEFATRIZINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UOCJDOLVGGIYIQ-PBFPGSCMSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
9
Publications
6
Known Names
1
Indications
Molecular Properties
462.5
MW (Da)
0.04
ALogP
9
HBA
5
HBD
174.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections
ATC Classification
J01DB07
cefatrizine
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-436 CHEMBL4296465 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.4 | - | Homo sapiens |
| Fu | 0.4 | - | Homo sapiens |
| MRT | 1.1 | hr | Homo sapiens |
| T1/2 | 1.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-436 | IC50 | = | 30000.0 | nM | 4.52 | Anticancer activity against human MDA-MB-436 cells assessed as cell growth inhib... | 33650861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20070106 | 10.1021/jm901371v | Homo sapiens | 8 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 19445515 | 10.1021/jm900403j | Homo sapiens | 2 |
| 20070106 | 10.1021/jm901371v | Plasma | 1 |
| 20022146 | 10.1016/j.ejmech.2009.11.034 | Homo sapiens | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
| 21112128 | 10.1016/j.ejmech.2010.11.005 | ADMET | 1 |
| 21458999 | 10.1016/j.bmc.2011.03.011 | Caco-2 | 1 |
| 33650861 | 10.1021/acs.jmedchem.0c01180 | MDA-MB-436 | 1 |
Data from ChEMBL 36 via Core Engine