Alvespimycin

Basic Information

CAS ID: 467214-20-6
Molecular Formula: C32H48N4O8
Molecular Weight: 616.8 g/mol
Monoisotopic Mass: 616.3472 g/mol
Class: Small Molecule
Natural Product: No
Other Names: BMS-826476 | ALVESPIMYCIN HYDROCHLORIDE | ALVESPIMYCIN
Analysis: Drug repositioning mechanism analysis

O NH N O NH O O O O H2N OH O

Compound Structure and Identifier

InChI: InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1 See All
InChI Key: KUFRQPKVAWMTJO-LMZWQJSESA-N
Smiles: CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O See All
Molfile: Download

Related Target

Target ID Name Interaction
T0955 Heat shock protein 90 inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 26116697 Target ID T0955
Uniprot ID Heat shock protein 90 Name Heat shock protein 90
Model vitro,mice Fibrosis Disease Renal fibrosis
Process I attenue inflammation
Process II
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 5288674
ChEMBL: CHEMBL383824