| IPAD-DB ID | S00361 |
| Name | 1-(3-dimethylaminopropyl-1-amino)-4-nitro-7-methylmercapto-9-acridinone |
| Category | Synthetic compounds |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | - |
| Molecular Weight | - |
| IUPAC Name | - |
| InChI | - |
| InChIKey | - |
| Canonical SMILES | - |
| PubChem CID | - |
| DrugBank Accession Number | - |
| CAS Registry Number | - |
| Ki | - |
| EC50 | |
| IC50 | 7.1μM(Aβ) |
| Inhibition | |
| Toxicity | |
| ROS(reactive oxygen species) | |
| Metal Chelating | |
| BBB(blood-brain barrier) | |
| Target Protein | Aβ |
| Effects | Inhibit Aβ |
| Research Models | |
| Ref. Link |
| Molecular Weight(Computed by SwissADME) | |
| Hac(Computed by SwissADME) | |
| Volume(Computed by ADMETlab 2.0) | |
| Density(Computed by ADMETlab 2.0) | |
| nRing(Computed by ADMETlab 2.0) | |
| MaxRing(Computed by ADMETlab 2.0) | |
| nHet(Computed by ADMETlab 2.0) | |
| fChar(Computed by ADMETlab 2.0) | |
| nRig(Computed by ADMETlab 2.0) | |
| Flexibility(Computed by ADMETlab 2.0) | |
| Stero Centers(Computed by ADMETlab 2.0) | |
| LogS(Computed by ADMETlab 2.0) | |
| LogD(Computed by ADMETlab 2.0) |
| logP(Computed by ADMETlab 2.0) | |
| TPSA(Computed by SwissADME) | |
| Hbond Acceptor(Computed by SwissADME) | |
| Hbond Donor(Computed by SwissADME) | |
| Rotatable Bonds(Computed by SwissADME) |
| GI Absorption(Computed by SwissADME) | |
| BBB(blood-brain barrier) Permeant(Computed by SwissADME) | |
| P-gp Substrate(Computed by SwissADME) | |
| CYP1A2 Inhibitor(Computed by SwissADME) | |
| CYP2C19 Inhibitor(Computed by SwissADME) | |
| CYP2C9 Inhibitor(Computed by SwissADME) | |
| CYP2D6 Inhibitor(Computed by SwissADME) | |
| CYP3A4 Inhibitor(Computed by SwissADME) | |
| log Kp(Skin Permeation)(Computed by SwissADME) |
| Lipinski(Computed by SwissADME) | |
| Ghose(Computed by SwissADME) | |
| Veber(Computed by SwissADME) | |
| Egan(Computed by SwissADME) | |
| Muegge(Computed by SwissADME) | |
| Bioavailability Score(Computed by SwissADME) |