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Makaluvamine F

AlkaPlorer ID: AK305032

Synonym: None

IUPAC Name: 10-[(5-bromo-6-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)amino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

Structure

SMILES: O=C1C(NC2CC3=C(C=C(O)C(Br)=C3)S2)=CC2=NCCC3=CNC1=C23

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InChI: InChI=1S/C18H14BrN3O2S/c19-10-3-9-4-15(25-14(9)6-13(10)23)22-12-5-11-16-8(1-2-20-11)7-21-17(16)18(12)24/h3,5-7,15,21-23H,1-2,4H2

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InChIKey: ZEIRCDSUNJVVPP-UHFFFAOYSA-N

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Reference

CAS: 146555-83-1

NPASS: NPC475635

COCONUT: CNP0399505.1

Properties Information

Molecule Weight: 416.3000000000002

TPSA？: 77.47999999999999

MolLogP？: 3.172300000000001

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis MIC 12.5 ug.mL-1 10.1021/np9005629
Cricetulus griseus XRS6 IC50 80.0 nM 10.1021/jm3002795
Escherichia coli Escherichia coli MIC 100.0 ug.mL-1 10.1021/np9005629
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1021/np50126a008
Homo sapiens DNA topoisomerase II alpha IC90 25000.0 nM 10.1021/jm3002795
Homo sapiens HCT-116 Activity nan None 10.1021/np50126a008
Homo sapiens HCT-116 IC50 170.0 nM 10.1021/jm3002795
Homo sapiens Hypoxia-inducible factor 1 alpha IC50 8300.0 nM 10.1021/acs.jnatprod.5b00846
Homo sapiens Hypoxia-inducible factor 1 alpha INH 0.1 uM 10.1021/acs.jnatprod.5b00846
Homo sapiens Hypoxia-inducible factor 1 alpha INH 0.25 uM 10.1021/acs.jnatprod.5b00846
Homo sapiens Hypoxia-inducible factor 1 alpha Inhibition nan % 10.1021/acs.jnatprod.5b00846
Homo sapiens K562 IC50 8900.0 nM 10.1021/np9005629
Micrococcus luteus Micrococcus luteus MIC 3.125 ug.mL-1 10.1021/np9005629
Proteus vulgaris Proteus vulgaris MIC 25.0 ug.mL-1 10.1021/np9005629
Salmonella enterica Salmonella enterica MIC 100.0 ug.mL-1 10.1021/np9005629
Staphylococcus aureus Sortase A IC50 174700.0 nM 10.1021/np9005629
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1021/np9005629
None NON-PROTEIN TARGET IC50 7200.0 nM 10.1021/acs.jnatprod.5b00846
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1021/acs.jnatprod.5b00846

Metabolism Information