Pendolmycin
AlkaPlorer ID: AK028489
Synonym: None
IUPAC Name: (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Structure
SMILES: C=CC(C)(C)C1=CC=C2C3=C1NC=C3C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
InChI: InChI=1S/C22H31N3O2/c1-7-22(4,5)16-8-9-17-18-14(11-23-19(16)18)10-15(12-26)24-21(27)20(13(2)3)25(17)6/h7-9,11,13,15,20,23,26H,1,10,12H2,2-6H3,(H,24,27)/t15-,20-/m0/s1
InChIKey: JPJWIAYMFHOJRY-YWZLYKJASA-N
Reference
Methylpendolmycin, an Indolactam from a Nocardiopsis sp.
PubChem CID: 154206
CAS: 119375-01-8
LOTUS: LTS0269086
NPASS: NPC204565
{NPAtlas: NPA020340
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardiopsis sp. | Nocardiopsis | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
| Marinactinospora thermotolerans | Marinactinospora | Nocardiopsaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 369.5090000000001
TPSA？: 68.36
MolLogP？: 3.125500000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Bacillus anthracis | MIC | 50.0 | ug.mL-1 | 10.1021/np50060a022 |
| Bacillus cereus | Bacillus cereus | MIC | 50.0 | ug.mL-1 | 10.1021/np50060a022 |
| Bacillus subtilis | Bacillus subtilis | MIC | 50.0 | ug.mL-1 | 10.1021/np50060a022 |
| Corynebacterium bovis | Corynebacterium bovis | MIC | 50.0 | ug.mL-1 | 10.1021/np50060a022 |
| Homo sapiens | A-431 | IC50 | 0.001 | ug.mL-1 | 10.1021/np50060a022 |
| Homo sapiens | A549 | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Homo sapiens | DU-145 | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Homo sapiens | Epidermal growth factor receptor erbB1 | Activity | nan | None | 10.1021/np50060a022 |
| Homo sapiens | HeLa | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Homo sapiens | MCF7 | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Homo sapiens | MDA-MB-231 | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Homo sapiens | NCI-H460 | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Homo sapiens | Skin | Activity | nan | None | 10.1021/np50060a022 |
| Homo sapiens | SMMC-7721 | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Homo sapiens | SW1990 | IC50 | 50000.0 | nM | 10.1021/np200399t |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 100.0 | ug.mL-1 | 10.1021/np50060a022 |
| Micrococcus luteus | Micrococcus luteus | MIC | 25.0 | ug.mL-1 | 10.1021/np50060a022 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 50.0 | ug.mL-1 | 10.1021/np50060a022 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 25.0 | ug.mL-1 | 10.1021/np50060a022 |
| None | Unchecked | Activity | 46.0 | % | 10.1021/acsmedchemlett.1c00562 |
| None | Unchecked | Activity | 60.0 | % | 10.1021/acsmedchemlett.1c00562 |
| None | Unchecked | IC50 | 5000.0 | nM | 10.1021/acsmedchemlett.1c00562 |