MI-3 (Menin-MLL Inhibitor)
AlkaPlorer ID: AK007653
Synonym: None
IUPAC Name: 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine
Structure
SMILES: CC(C)C1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C
InChI: InChI=1S/C18H25N5S2/c1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17/h9,11-12H,5-8,10H2,1-4H3
InChIKey: FUGQNAUKABUDQI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 375.5670000000001
TPSA？: 44.620000000000005
MolLogP？: 3.818100000000003
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 | 10000.0 | nM | 10.6019/EOS300108 |
| Homo sapiens | Menin | IC50 | 650.0 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 15.64 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.37 | % | 10.6019/CHEMBL4495565 |