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Compound Detail

CHEMBL5824582

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CC(=O)Nc1ccc(-c2ncc3c(ccn3C[C@@H]3CCNC3)c2-c2ccc(C#N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5824582
Phase Preclinical
Structure Type MOL
InChI Key JJOLIWKKNKCKPP-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
4.81
ALogP
5
HBA
2
HBD
82.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N5O
MW 435.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 52.0 nM 7.28 LSD1 Activity: Human recombinant LSD1 protein expressed in E. coli cells was pur... -

Data from ChEMBL 36 via Core Engine