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Compound Detail

CHEMBL5074655

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O=C(NCc1ccc2cc(CNCC34CCC(C3)C4)[nH]c2c1)c1cc(=O)n2ccccc2n1

Basic Information

ChEMBL ID CHEMBL5074655
Phase Preclinical
Structure Type MOL
InChI Key ZIQJKLXRJPGHGU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.39
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.41
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 C26H27N5O2
MW 441.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.23

Activity Summary

IC50 3 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
Caov-3 cell line
CHEMBL614379
IC50 6.62 6.62 241.9 1
Kasumi 1
CHEMBL613988
IC50 6.16 6.16 698.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine