Compound Description
| ID: C0890 | Common name: Alvespimycin |
| IUPAC: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | CAS: CAS:467214-20-6 |
| Chembl ID: CHEMBL383824 | Pubchem ID: CID:5288674 |
| Formula: C32H48N4O8 | TCM-ID: TCMC679 |
| Smiles: CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)N=C(O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=N)O)OC)/C | |
| Alias:
17-Demethoxy-17-[[2-(dimethylamino)ethyl]amino]geldanamycin;
17-DMAG; 17-Dimethylaminoethylamino-17-demethoxygeldanamycin; 17-N-(2-Dimethylaminoethylamino)-17-demethoxygeldanamycin; 17-[2-(Dimethylamino)ethylamino]-17-desmethylgeldanamycin; Alvespimycin; DMAG; NSC 707545 |
Structure:
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Related Targets (Total: 7)
| Target id | Protein Name | Gene Symbol | Uniprot ID | Target Level | No.of Literature Evidence |
|---|---|---|---|---|---|
| T23VMI | Tumor necrosis factor | TNF |
P01375 |
A | 1 Reference(s) |
| T47H3O | Heat shock protein HSP 90-alpha | HSP90AA1 |
P07900 |
A | 11 Reference(s) |
| T09H2Z | Nitric oxide synthase, inducible | NOS2 |
P35228 |
A | 1 Reference(s) |
| T85U8U | Caspase-3 | CASP3 |
P42574 |
A | 2 Reference(s) |
| T40JZG | GPI-anchor transamidase | PIGK |
Q92643 |
C | 1 Reference(s) |
| T46K2X | Heat shock 70 kDa protein 4 | HSPA4 |
P34932 |
C | 1 Reference(s) |
| T83P5X | Inhibitor of nuclear factor kappa-B kinase subunit beta | IKBKB |
O14920 |
C | 1 Reference(s) |
*In this table, target level represents the quality confidence indicators of targets.
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".
Related Herbs (Total: 1)
| Herb id | Chinese Pin Yin | Chinese Character | English Name | Latin Name |
|---|---|---|---|---|
| H0456 | Bu Gu Zhi | 补骨脂 | Malaytea scurfpea | Psoralea corylifolia |
Ckey description of the interaction between compound and target