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4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine

AlkaPlorer ID: AK001334

Synonym: None

IUPAC Name: 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine

Structure

SMILES: CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C

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InChI: InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3

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InChIKey: SRQYLNYQAPCPIR-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 375.5670000000001

TPSA？: 44.620000000000005

MolLogP？: 3.6472000000000024

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HepG2 IC50 relative 13700.0 nM 10.6019/EOS300108
Homo sapiens HL-60 IC50 10000.0 nM 10.1021/acs.jmedchem.2c01313
Homo sapiens Menin IC50 430.0 nM None
Homo sapiens Menin IC50 446.0 nM 10.1016/j.bmc.2017.11.045
Homo sapiens Menin Kd 158.0 nM 10.1016/j.bmc.2017.11.045
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL IC50 450.0 nM 10.1039/C7MD00170C
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL IC50 600.0 nM 10.1021/acs.jmedchem.2c01313
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL IC50 446000.0 nM 10.1021/acs.jmedchem.1c00872
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Kd 158.0 nM 10.1016/j.bmcl.2015.04.026
Homo sapiens MOLM-13 GI50 nan None 10.1021/acs.jmedchem.1c00872
Homo sapiens MV4-11 Activity nan None 10.1021/acs.jmedchem.2c01313
Homo sapiens MV4-11 GI50 9500.0 nM 10.1021/acs.jmedchem.1c00872
Homo sapiens MV4-11 IC50 7620.0 nM 10.1021/acs.jmedchem.2c01313
Homo sapiens MV4-11 IC50 8520.0 nM 10.1021/acs.jmedchem.2c01313
Homo sapiens MV4-11 IC50 9200.0 nM 10.1021/acs.jmedchem.2c01313
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 3.8 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.5 % 10.6019/CHEMBL4495565

Metabolism Information