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Compound Detail

CHEMBL4237521

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CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4237521
Phase Preclinical
Structure Type MOL
InChI Key CIMRREAXHKBLAC-SFQUDFHCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.40
ALogP
3
HBA
2
HBD
82.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O3
MW 359.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 5.19 5.19 6420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 6420.0 nM 5.19 Inhibition of N-terminal truncated recombinant human LSD1 (151 to 852 residues) ... 30153955

Literature References

PubMed DOI Target Context # Activities
30153955 10.1016/j.bmc.2018.08.026 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine