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Compound Detail

CHEMBL5075825

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c1cc2cc(-c3cn(Cc4ccc5cc(CNCC6CCC6)[nH]c5c4)nn3)cnc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5075825
Phase Preclinical
Structure Type MOL
InChI Key LJCUKFPQZQITML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.24
ALogP
5
HBA
3
HBD
87.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N7
MW 411.51
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
METTL3/METTL14
CHEMBL4106140
 IC50 8.21 8.21 6.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
METTL3/METTL14 IC50 = 6.1 nM 8.21 Inhibition of full-length His-tagged METTL3 (unknown origin) coexpressed with fu... -

Data from ChEMBL 36 via Core Engine