Basic Information
| Drug ID | DDPD00256 |
|
| Drug Name | Lymecycline | |
| Molecular Weight | 602.6328 | |
| Molecular Formula | C29H38N4O10 | |
| CAS Number | 992-21-2 | |
| SMILES | [H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C | |
| External Links | ||
| DRUGBANK | DB00256 | |
| T3DB | T3D3952 | |
| PubChem Compound | 54707177 | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | -1.7 | - | -1.7 | - | http://www.chemspider.com/Chemical-Structure.20121315.html |
| Boiling Point | 928.1 | ℃ | 928.1±65.0 | ℃ | http://www.chemspider.com/Chemical-Structure.20121315.html |
| Melting Point | 192.5 | ℃ | 192.5 | ℃ | https://m.chemicalbook.com/ProductChemicalPropertiesCB2891297_EN.htm |
| pKa | 2.5 | - | 2.50±0.24 | - | https://m.chemicalbook.com/ProductChemicalPropertiesCB2891297_EN.htm |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Absorption | 77.5 | % | 77-78 | % | PO, oral; | DRUGBANK |
| AUC | 21900.0 | ng.h/ml | 21.9±4.3 | mg.h/l | PO, oral; | DRUGBANK |
| Bioavailability | 70.0 | % | 70.0 | % | PO, oral; | DRUGBANK |
| C Max | 2100.0 | ng/ml | 2.1 | mg/L | PO, oral; | DRUGBANK |
| T Max | 3.0 | h | 3 | h | PO, oral; | DRUGBANK |
| Volume of Distribution | 1.5 | L/kg | 1.3-1.7 | L/kg | DRUGBANK | |
| Half-life | 8.0 | h | ~8 | h | DRUGBANK | |
| Toxicity LD50 | 3200.0 | mg/kg | 3200.0 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK |
| Eliminate Route | 25.0 | % | 25 | % | Urinary excretion; | DRUGBANK |
Maximum Dosage
Not Available
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1