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Compound Detail

CHEMBL3126202

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N#Cc1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL3126202
Phase Preclinical
Structure Type MOL
InChI Key PFDYBDSSCPZQSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
4.98
ALogP
4
HBA
1
HBD
56.5
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 C28H30N2O2
MW 426.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Menin
CHEMBL1615381
IC50 4.97 4.97 10800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Menin IC50 = 10800.0 nM 4.97 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