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Compound Detail

CHEMBL5798730

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N#CNC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL5798730
Phase Preclinical
Structure Type MOL
InChI Key MBPMGMRWKUDDJJ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
2.87
ALogP
7
HBA
2
HBD
98.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F3N7O
MW 429.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.61

Activity Summary

IC50 3 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
IC50 7.3 5.94 50.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine