Molecule

2-Amino-8-(hydroxymethyl)-3H-phenoxazin-3-one; N-Ac

AlkaPlorer ID: AK028275

Synonym: 2-Acetamido-8-(hydroxymethyl)-3H-phenoxazin-3-one, Exfoliazone, BT 38, Antibiotic BT 38

IUPAC Name: N-[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]acetamide

SMILES: CC(O)=NC1=CC2=NC3=CC(CO)=CC=C3OC2=CC1=O

InChI: InChI=1S/C15H12N2O4/c1-8(19)16-10-5-12-15(6-13(10)20)21-14-3-2-9(7-18)4-11(14)17-12/h2-6,18H,7H2,1H3,(H,16,19)

InChIKey: AUBMZQABQDPFKS-UHFFFAOYSA-N

PubChem CID: 131529

CAS: 132627-73-7

LOTUS: LTS0180663

SuperNatural Ⅲ: SN0015437

NPASS: NPC231862

COCONUT: CNP0195402

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NPAtlas: NPA020684

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces exfoliatus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Streptomyces venezuelae	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 284.271

TPSA？: 95.92000000000002

MolLogP？: 2.3930000000000007

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	IC50	2520.0	nM	10.1016/j.bmcl.2012.10.096
Homo sapiens	A549	IC50	9160.0	nM	10.1016/j.bmcl.2012.10.096
Homo sapiens	BGC-823	IC50	3400.0	nM	10.1016/j.bmcl.2012.10.096
Homo sapiens	HCT-8	IC50	4890.0	nM	10.1016/j.bmcl.2012.10.096
Homo sapiens	Indoleamine 2,3-dioxygenase	Inhibition	74.0	%	10.1021/jm400049z
Homo sapiens	Indoleamine 2,3-dioxygenase	Inhibition	82.0	%	10.1021/jm400049z
Homo sapiens	Indoleamine 2,3-dioxygenase	Inhibition	85.0	%	10.1021/jm400049z
None	NON-PROTEIN TARGET	IC50	10000.0	nM	10.1016/j.bmcl.2012.10.096
None	NON-PROTEIN TARGET	IC50	13600.0	nM	10.1016/j.bmcl.2012.10.096
None	Unchecked	Activity	nan	None	10.1016/j.bmcl.2012.10.096