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Compound Detail

CHEMBL3126193

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N#Cc1ccc(OCCCN2CCC(C(O)(c3cccc(F)c3)c3ccccn3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3126193
Phase Preclinical
Structure Type MOL
InChI Key YLADDJNCJBCBJE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
4.51
ALogP
5
HBA
1
HBD
69.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28FN3O2
MW 445.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Menin
CHEMBL1615381
 IC50 6.65 6.65 225.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Menin IC50 = 225.0 nM 6.65 Inhibition of human His-tagged menin-biotinylated MLL (4 to 15) interaction afte... 24472025

Literature References

PubMed DOI Target Context # Activities
24472025 10.1021/jm401868d Menin 1

Data from ChEMBL 36 via Core Engine