Molecule

Meriolin 5

AlkaPlorer ID: AK001805

Synonym: None

IUPAC Name: 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

SMILES: CCCOC1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N

InChI: InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)

InChIKey: ZHMRPXZRUZLCNL-UHFFFAOYSA-N

PubChem CID: 23727982

CAS: 1011711-76-4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 269.308

TPSA？: 89.71

MolLogP？: 2.3909

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	CDK2/Cyclin A2	IC50	3.0	nM	10.1021/acs.jmedchem.6b00150
Homo sapiens	CDK9/cyclin T1	IC50	5.6	nM	10.1021/jm700940h
Homo sapiens	CDK9/cyclin T1	IC50	6.0	nM	10.1021/acs.jmedchem.6b00150
Homo sapiens	Cyclin-dependent kinase	Activity	nan	None	10.1021/jm700940h
Homo sapiens	Cyclin-dependent kinase 2/cyclin A	IC50	3.0	nM	10.1021/jm700940h
Homo sapiens	Cyclin-dependent kinase 5/CDK5 activator 1	IC50	3.0	nM	10.1021/acs.jmedchem.6b00150
Homo sapiens	Cyclin-dependent kinase 5/CDK5 activator 1	IC50	3.0	nM	10.1021/jm700940h
Homo sapiens	GBM	IC50	80.0	nM	10.1021/jm700940h
Homo sapiens	HEK293	IC50	85.0	nM	10.1021/jm700940h
Homo sapiens	KMS-11	IC50	40.0	nM	10.1021/jm700940h
Homo sapiens	LS174T	IC50	47.0	nM	10.1021/jm700940h
Homo sapiens	SH-SY5Y	IC50	26.0	nM	10.1021/jm700940h
Rattus norvegicus	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	37.0	nM	10.1021/jm700940h
None	Unchecked	IC50	7.0	nM	10.1021/acs.jmedchem.6b00150
None	Unchecked	IC50	7.0	nM	10.1021/jm700940h
None	Unchecked	IC50	25.0	nM	10.1021/jm700940h
None	Unchecked	IC50	200.0	nM	10.1021/jm700940h