Molecule

Meridianin A; 7-Bromo

AlkaPlorer ID: AK001753

Synonym: Meridianin E, Psammopemmin B

IUPAC Name: 3-(2-aminopyrimidin-4-yl)-7-bromo-1H-indol-4-ol

Structure

SMILES: N=C1N=C(C2=CNC3=C2C(O)=CC=C3Br)C=CN1

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

InChIKey: USBKPWRTJAXTBS-UHFFFAOYSA-N

Reference

Indole Alkaloids from the Tunicate Aplidium meridianum

PubChem CID: 9995236

CAS: 213473-03-1

LOTUS: LTS0115052

NPASS: NPC80596

COCONUT: CNP0163173

Source

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

Properties Information

Molecule Weight: 305.135

TPSA？: 88.55000000000001

MolLogP？: 2.50557

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	cAMP-dependent protein kinase (PKA)	IC50	90.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Casein kinase I	IC50	100000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Casein kinase II	IC50	100000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	c-Jun N-terminal kinase, JNK	IC50	1000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Cyclin-dependent kinase 1/cyclin B	IC50	180.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Cyclin-dependent kinase 2/cyclin E	IC50	1800.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Cyclin-dependent kinase 4/cyclin D1	IC50	3000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Cyclin-dependent kinase 5/CDK5 activator 1	IC50	150.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Glycogen synthase kinase-3 alpha	IC50	900.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Glycogen synthase kinase-3 beta	IC50	2500.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	HEp-2	IC50	1100.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	HT-29	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Insulin receptor	IC50	80000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	MAP kinase ERK1	IC50	100000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	MAP kinase ERK2	IC50	100000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C alpha	IC50	1300.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C beta	IC50	1500.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C beta	IC50	2000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C delta	IC50	1200.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C epsilon	IC50	4000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C eta	IC50	1300.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C gamma	IC50	2000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Protein kinase C zeta	IC50	4000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	RD	IC50	nan	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	Serine/threonine-protein kinase RAF	IC50	100000.0	nM	10.1016/j.bmcl.2004.01.050
Homo sapiens	U-937	IC50	9800.0	nM	10.1016/j.bmcl.2004.01.050
Mus musculus	LMM3 cell line	IC50	11100.0	nM	10.1016/j.bmcl.2004.01.050
Mus musculus	LMM3 cell line	IC50	11100.0	nM	10.1016/j.ejmech.2017.04.003
None	NON-PROTEIN TARGET	IC50	11100.0	nM	10.1021/np970493u
None	PTP	IC50	22000.0	nM	10.1016/j.bmcl.2004.01.050
None	Unchecked	IC50	90.0	nM	10.1016/j.bmcl.2004.01.050
None	Unchecked	IC50	600.0	nM	10.1016/j.bmcl.2004.01.050
None	Unchecked	IC50	800.0	nM	10.1016/j.bmcl.2004.01.050
None	Unchecked	IC50	100000.0	nM	10.1016/j.bmcl.2004.01.050