Nocardimicin; Nocardimicin D, N1-Deoxy
AlkaPlorer ID: AK308001
Synonym: Nocardimicin E
IUPAC Name: [2-methyl-1-oxo-1-[(2-oxoazepan-3-yl)amino]hexadecan-3-yl] 6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-1,3-oxazole-4-carbonyl]amino]hexanoate
Structure
SMILES: CCCCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)N=C(O)C1=COC(C2=CC=CC=C2O)=N1)C(C)C(O)=NC1CCCCN=C1O
InChI: InChI=1S/C41H63N5O9/c1-4-5-6-7-8-9-10-11-12-13-14-25-36(29(2)37(49)43-32-22-17-19-26-42-38(32)50)55-41(52)33(23-18-20-27-46(53)30(3)47)44-39(51)34-28-54-40(45-34)31-21-15-16-24-35(31)48/h15-16,21,24,28-29,32-33,36,48,53H,4-14,17-20,22-23,25-27H2,1-3H3,(H,42,50)(H,43,49)(H,44,51)
InChIKey: PIFYJYLXAXDUEB-UHFFFAOYSA-N
Reference
PubChem CID: 135466875
CAS: 863507-46-4
LOTUS: LTS0162264
NPASS: NPC477589
COCONUT: CNP0143940.2
{NPAtlas: NPA018492
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 769.981
TPSA？: 210.87
MolLogP？: 8.842900000000006
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Muscarinic acetylcholine receptor M3 | IC50 | 4560.0 | nM | 10.1021/np050091j |
| Homo sapiens | Muscarinic acetylcholine receptor M3 | Ki | 970.0 | nM | 10.1021/np050091j |