Spermatinamine
AlkaPlorer ID: AK002361
Synonym: None
IUPAC Name: 4-[[(2E)-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]-N-[4-[3-[[(2E)-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanoyl]amino]propyl-methylamino]butyl]-N-methylbutanamide
Structure
SMILES: CN(CCCCN(C)C(=O)CCCNC(=O)/C(=N/O)/CC1=CC(=C(C(=C1)Br)OC)Br)CCCNC(=O)/C(=N/O)/CC2=CC(=C(C(=C2)Br)OC)Br
InChI: InChI=1S/C33H44Br4N6O7/c1-42(13-8-11-39-33(46)28(41-48)20-22-17-25(36)31(50-4)26(37)18-22)12-5-6-14-43(2)29(44)9-7-10-38-32(45)27(40-47)19-21-15-23(34)30(49-3)24(35)16-21/h15-18,47-48H,5-14,19-20H2,1-4H3,(H,38,45)(H,39,46)/b40-27+,41-28+
InChIKey: AHBVYNLXMXUPAX-QUJZYQTNSA-N
Reference
PubChem CID: 44434908
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 956.3659999999996
TPSA？: 165.39
MolLogP？: 5.772500000000004
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Isoprenylcysteine carboxyl methyltransferase | Activity | nan | None | 10.1016/j.bmcl.2007.10.021 |
| Homo sapiens | Isoprenylcysteine carboxyl methyltransferase | IC50 | 1900.0 | nM | 10.1016/j.bmcl.2007.10.021 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 6300.0 | nM | 10.1039/C4MD00310A |
| Mycobacterium tuberculosis | Uncharacterized protein Rv1284/MT1322 | deltaTm | 1.2 | K | 10.1039/C4MD00310A |
| None | Unchecked | Activity | nan | None | 10.1039/C4MD00310A |
| None | Unchecked | Inhibition | nan | % | 10.1039/C4MD00310A |
| None | Unchecked | Ki | 23000.0 | nM | 10.1039/C4MD00310A |