Details of the Drug

General Information of Drug (ID: DMA3Y8C)

Drug Name
Fumagillin
Synonyms
MLS002702991; SMR001566800; NCGC00163699-01; AC1NS4EN; SCHEMBL6953272; MEGxm0_000010; CHEMBL1396346; BDBM95462; ACon0_000963; MolPort-044-567-755; cid_45281154; MolPort-001-739-223; MCULE-6695017352; NCGC00163699-03; J-014992; Fumagillin from Aspergillus fumigatus, > =90%, powder; NCGC00163699-03_C26H34O7_2,4,6,8-Decatetraenedioic acid, mono[5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl] ester, (2E,4E,6E,8E)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
ATC Code
P01AX10: Fumagillin
P01AX: Other agents against amoebiasis and other protozoal diseases
P01A: AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
P01: ANTIPROTOZOALS
P: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 458.5
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C26H34O7
IUPAC Name
(2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
Canonical SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C
InChI
InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
InChIKey
NGGMYCMLYOUNGM-CSDLUJIJSA-N
Cross-matching ID
PubChem CID
6917655
ChEBI ID
CHEBI:48635
CAS Number
23110-15-8
UNII
7OW73204U1
DrugBank ID
DB02640
TTD ID
D08CFL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Methionine aminopeptidase 2 (METAP2) TTZL0OI MAP2_HUMAN Binder [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Homology modeling and calculation of the cobalt cluster charges of the Encephazlitozoon cuniculi methionine aminopeptidase, a potential target for drug design. Biophys Chem. 2003 Aug 1;105(1):29-43.