General
Preferred name
MM-401 (TFA)
Synonyms
P&D ID
PD127900
CAS
1442106-11-7
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION MM-401 (TFA) is a MLL1 H3K4 methyltransferase inhibitor. MM-401 inhibits MLL1 activity (IC50 = 0.32 ¦ÌM) by blocking MLL1-WDR5 interaction. MM-401 can induce cell cycle arrest, apoptosis and differentiation. MM-401 can be used for the research of MLL leukemia[1].
Cell lines
2
Organisms
0
Compound Sets
3
IPPI - DB
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
586.36
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
8
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
1
cLogP
0.32
TPSA
207.4
Fraction CSP3
0.59
Chiral centers
4.0
Largest ring
16.0
QED
0.12
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Member status
virtual
Target
Apoptosis
WDR5
Pathway
Epigenetics
Source data