Amphotericin B
AlkaPlorer ID: AK287766
Synonym: Amphotericin, Abeicet, Amfostet, Ampho-Moronal, Amphozone, Anfostat, Fungizone, Many other names
IUPAC Name: 33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Structure
SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O
InChI: InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)
InChIKey: APKFDSVGJQXUKY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium nalgiovense | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 924.0910000000003
TPSA？: 319.61
MolLogP？: 0.7117000000000053
Number of H-Donors: 12
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Alpha-synuclein | Potency | 7943.3 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 10621.3 | nM | None |
| Homo sapiens | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | 1169.0 | nM | None |
| Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G | Potency | 2818.4 | nM | None |
| Homo sapiens | DNA polymerase eta | Potency | 891.3 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 1258.9 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 17782.8 | nM | None |
| Homo sapiens | Geminin | Potency | 3264.3 | nM | None |
| Homo sapiens | Geminin | Potency | 6513.1 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 2818.4 | nM | None |
| Homo sapiens | GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 | Potency | 32642.7 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 11220.2 | nM | None |
| Homo sapiens | HEK293 | Potency | 10000.0 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 112201.8 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 4610.9 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 11220.2 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 11220.2 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 6513.1 | nM | None |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 60119.8 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 89125.1 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | Potency | 18887.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 3264.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 4610.9 | nM | None |
| Homo sapiens | Werner syndrome ATP-dependent helicase | Potency | 17782.8 | nM | None |
| Trypanosoma brucei brucei | Phosphoglycerate kinase, glycosomal | Potency | 17782.8 | nM | None |
| None | NON-PROTEIN TARGET | CC50 | 3140.0 | nM | None |
| None | Unchecked | IC50 | 870.0 | nM | None |
| None | Unchecked | Potency | 1122.0 | nM | None |
| None | Unchecked | Potency | 3981.1 | nM | None |
| None | Unchecked | Potency | 5011.9 | nM | None |
| None | Unchecked | Potency | 9200.0 | nM | None |