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Compound Detail

CHEMBL3126201

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N#Cc1ccc(OCCCN2CCC([C@](O)(c3ccccn3)C3CCCC3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL3126201
Phase Preclinical
Structure Type MOL
InChI Key CXFJNJZPBYIKCK-SANMLTNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
4.51
ALogP
5
HBA
1
HBD
69.4
PSA (Ų)
0.64
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 C26H33N3O2
MW 419.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Menin
CHEMBL1615381
IC50 6.71 6.71 195.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Menin IC50 = 195.0 nM 6.71 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