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Compound Detail

CHEMBL6033706

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COc1ccc2c(Nc3cnccc3C(=O)O)nn(C)c2c1

Basic Information

ChEMBL ID CHEMBL6033706
Phase Preclinical
Structure Type MOL
InChI Key ATHMAOJGWSJVEU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.42
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4O3
MW 298.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.98

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