Molecule

O-Methylcaboxamycin

AlkaPlorer ID: AK019719

Synonym: None

IUPAC Name: methyl 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylate

SMILES: COC(=O)C1=CC=CC2=C1N=C(C1=CC=CC=C1O)O2

InChI: InChI=1S/C15H11NO4/c1-19-15(18)10-6-4-8-12-13(10)16-14(20-12)9-5-2-3-7-11(9)17/h2-8,17H,1H3

InChIKey: IOSTYUAREPRBCT-UHFFFAOYSA-N

PubChem CID: 135410270

CAS: 530112-68-6

LOTUS: LTS0270093

COCONUT: CNP0429997

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

Molecule Weight: 269.25600000000003

TPSA？: 72.56

MolLogP？: 2.987000000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Hepacivirus hominis	Hepatitis C virus	EC50	500.0	nM	10.1016/j.bmcl.2013.12.012
Hepacivirus hominis	Hepatitis C virus	EC50	40000.0	nM	10.1016/j.bmcl.2016.01.035
Homo sapiens	A549	IC50	12000.0	nM	10.1016/j.bmc.2007.11.019
Homo sapiens	MCF7	IC50	4000.0	nM	10.1016/j.bmc.2007.11.019
Human immunodeficiency virus 1	Human immunodeficiency virus 1	Activity	nan	None	10.1016/j.bmcl.2013.12.012
None	ADMET	CC50	5400.0	nM	10.1016/j.bmcl.2013.12.012
None	ADMET	CC50	71000.0	nM	10.1016/j.bmcl.2016.01.035
None	No relevant target	Kd	65000.0	nM	10.1016/j.bmcl.2016.01.035
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2007.11.019
None	Unchecked	IC50	700000.0	nM	10.1016/j.bmcl.2013.12.012
None	Unchecked	IC50	1200000.0	nM	10.1016/j.bmcl.2013.12.012
None	Unchecked	IC50	1800000.0	nM	10.1016/j.bmcl.2013.12.012
None	Unchecked	Inhibition	30.0	%	10.1016/j.bmcl.2013.12.012
None	Unchecked	Ratio CC50/EC50	1.8	None	10.1016/j.bmcl.2016.01.035
None	Unchecked	Ratio CC50/EC50	11.0	None	10.1016/j.bmcl.2013.12.012