Compound ID | 2503

Update compound information

BacPROTAC

Class: Antivirulence agent

Details of activity: Active against Mycobacterium sp.; degrades ClpC:ClpP protease
Description: Synthetic compound built from cyclomarin A heads
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1127.25
Iso. SMILES: CC(=O)N[C@@H](CCCN=C(N)NP(=O)(O)O)C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI Key: PHUSHOSCFJJUFD-JPEKXRIASA-N
Can. SMILES: CC(=O)N[C@@H](CCCN=C(N)NP(=O)(O)O)C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI: InChI=1S/C45H83N12O17PS/c1-32(58)53-34(8-6-15-52-44(47)57-75(66,67)68)43(64)51-18-24-74-30-26-70-20-12-39(61)49-16-22-72-28-25-69-19-11-38(60)50-17-23-73-29-27-71-21-13-40(62)54-33(42(46)63)7-4-5-14-48-37(59)10-3-2-9-36-41-35(31-76-36)55-45(65)56-41/h33-36,41H,2-31H2,1H3,(H2,46,63)(H,48,59)(H,49,61)(H,50,60)(H,51,64)(H,53,58)(H,54,62)(H2,55,56,65)(H5,47,52,57,66,67,68)/t33-,34-,35-,36-,41-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/168264929
Citation: https://www.cell.com/cell/fulltext/S0092-8674(23)00404-X

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