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Compound Detail

CHEMBL5076382

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CC1(C)CCN(Cc2cc3ccc(CNC(=O)c4cc(=O)n5ccccc5n4)cc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL5076382
Phase Preclinical
Structure Type MOL
InChI Key FMVSGMCYTPMIRT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
3.73
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5O2
MW 443.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.49

Activity Summary

IC50 2 meas. best 8.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
METTL3/METTL14
CHEMBL4106140
IC50 8.42 8.42 3.8 1
Caov-3 cell line
CHEMBL614379
IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine