Nocardimicin; Nocardimicin B, N1-Deoxy
AlkaPlorer ID: AK307999
Synonym: Nocardimicin C
IUPAC Name: [2-methyl-1-oxo-1-[(2-oxoazepan-3-yl)amino]tetradecan-3-yl] 6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-1,3-oxazole-4-carbonyl]amino]hexanoate
Structure
SMILES: CCCCCCCCCCCC(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/C39H59N5O9/c1-4-5-6-7-8-9-10-11-12-23-34(27(2)35(47)41-30-20-15-17-24-40-36(30)48)53-39(50)31(21-16-18-25-44(51)28(3)45)42-37(49)32-26-52-38(43-32)29-19-13-14-22-33(29)46/h13-14,19,22,26-27,30-31,34,46,51H,4-12,15-18,20-21,23-25H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)
InChIKey: ZRSRFOLUVALIAN-UHFFFAOYSA-N
Reference
PubChem CID: 3013847
CAS: 863507-44-2
LOTUS: LTS0156177
NPASS: NPC477587
COCONUT: CNP0189957.3
{NPAtlas: NPA004346
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 741.9269999999999
TPSA？: 210.87
MolLogP？: 8.062700000000008
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 | 4700.0 | nM | 10.1021/np050091j |
| Homo sapiens | Muscarinic acetylcholine receptor M3 | Ki | 1000.0 | nM | 10.1021/np050091j |