Molecule

Meridianin A; 6-Bromo

AlkaPlorer ID: AK001581

Synonym: Meridianin B, Psammopemmin C

IUPAC Name: 3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol

SMILES: N=C1N=C(C2=CNC3=CC(Br)=CC(O)=C23)C=CN1

InChI: InChI=1S/C12H9BrN4O/c13-6-3-9-11(10(18)4-6)7(5-16-9)8-1-2-15-12(14)17-8/h1-5,16,18H,(H2,14,15,17)

InChIKey: PYQFQGXOARMGAQ-UHFFFAOYSA-N

PubChem CID: 10380356

CAS: 213472-99-2

LOTUS: LTS0263925

NPASS: NPC128084

COCONUT: CNP0125551

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Synoicum	Polyclinidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota
None	Aplidium	Polyclinidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Molecule Weight: 305.135

TPSA？: 88.55000000000001

MolLogP？: 2.5055700000000005

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	cAMP-dependent protein kinase (PKA)	IC50	210.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Casein kinase I	IC50	1000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Cyclin-dependent kinase 1/cyclin B	IC50	1500.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Cyclin-dependent kinase 5/CDK5 activator 1	IC50	1000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Glycogen synthase kinase-3 beta	IC50	500.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	HEp-2	IC50	1700.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	HT-29	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	RD	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	U-937	IC50	11600.0	nM	10.1016/j.bmcl.2004.01.050
Mus musculus	LMM3 cell line	IC50	11400.0	nM	10.1016/j.ejmech.2017.04.003
Mus musculus	LMM3 cell line	IC50	17700.0	nM	10.1016/j.bmcl.2004.01.050
None	NON-PROTEIN TARGET	IC50	11400.0	nM	10.1021/np970493u
None	PTP	IC50	37200.0	nM	10.1016/j.bmcl.2004.01.050
None	Unchecked	IC50	1000.0	nM	10.1016/j.bmcl.2004.01.050