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Compound Detail

CHEMBL5838611

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O=C(O)c1ccncc1Nc1nn(Cc2ccccc2)c2ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL5838611
Phase Preclinical
Structure Type MOL
InChI Key XPBGYJQDZOLQAL-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
4.06
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15FN4O2
MW 362.36
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.51

Activity Summary

IC50 3 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine