Molecule

Mansouramycin A

AlkaPlorer ID: AK015120

Synonym: 3,4-Dimethyl-7-(methylamino)-5,8-isoquinolinedione, 3,4-Dimethyl-7-(methylamino)-5,8-isoquinolinequinone

IUPAC Name: 3,4-dimethyl-7-(methylamino)isoquinoline-5,8-dione

Structure

SMILES: CNC1=CC(=O)C2=C(C=NC(C)=C2C)C1=O

InChI: InChI=1S/C12H12N2O2/c1-6-7(2)14-5-8-11(6)10(15)4-9(13-3)12(8)16/h4-5,13H,1-3H3

InChIKey: SDLNCVBYFYLESJ-UHFFFAOYSA-N

Reference

Mansouramycins A−D, Cytotoxic Isoquinolinequinones from a Marine Streptomycete

PubChem CID: 44614384

CAS: 1199808-44-0

LOTUS: LTS0020276

SuperNatural Ⅲ: SN0342500

NPASS: NPC123906

COCONUT: CNP0244695

{

NPAtlas: NPA012734

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp.	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 216.23999999999995

TPSA？: 59.06

MolLogP？: 1.18074

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	IZ	10.0	mm	10.1021/np900160g
Candida albicans	Candida albicans	IZ	0.0	mm	10.1021/np900160g
Chlorella sorokiniana	Chlorella sorokiniana	IZ	17.0	mm	10.1021/np900160g
Chlorella vulgaris	Chlorella vulgaris	IZ	22.0	mm	10.1021/np900160g
Desmodesmus subspicatus	Desmodesmus subspicatus	IZ	25.0	mm	10.1021/np900160g
Escherichia coli	Escherichia coli	IZ	10.0	mm	10.1021/np900160g
Homo sapiens	CWR22R	IC50	21740.0	nM	10.1021/np900160g
Homo sapiens	DU-145	IC50	1250.0	nM	10.1021/np900160g
Homo sapiens	HCT-116	IC50	9110.0	nM	10.1021/np900160g
Homo sapiens	HT-29	IC50	4630.0	nM	10.1021/np900160g
Homo sapiens	LNCaP	IC50	21670.0	nM	10.1021/np900160g
Homo sapiens	MCF7	IC50	2340.0	nM	10.1021/np900160g
Homo sapiens	NCI-H460	IC50	7110.0	nM	10.1021/np900160g
Homo sapiens	OVCAR-3	IC50	32310.0	nM	10.1021/np900160g
Homo sapiens	PANC-1	IC50	26750.0	nM	10.1021/np900160g
Homo sapiens	SF-268	IC50	14410.0	nM	10.1021/np900160g
Rhizomucor miehei	Rhizomucor miehei	IZ	0.0	mm	10.1021/np900160g
Staphylococcus aureus	Staphylococcus aureus	IZ	12.0	mm	10.1021/np900160g
Staphylococcus aureus	Staphylococcus aureus	MIC	8.0	ug.mL-1	10.1021/acs.jmedchem.2c00626
Streptomyces viridochromogenes	Streptomyces viridochromogenes	IZ	0.0	mm	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	710.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	2440.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	2600.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	4100.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	5450.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	12420.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	12580.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	13150.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	14390.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	15570.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	16360.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	18020.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	18100.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	18650.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	18990.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	19050.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	26030.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	27140.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	28190.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	31900.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	32560.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	34890.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	46300.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	47760.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	49930.0	nM	10.1021/np900160g
None	NON-PROTEIN TARGET	IC50	59140.0	nM	10.1021/np900160g