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Compound Detail

CHEMBL5269187

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CC(C)c1c(-c2cnn(C3CCN(C(=O)CCl)CC3)c2)[nH]c2c(C#N)cnn2c1=O

Basic Information

ChEMBL ID CHEMBL5269187
Phase Preclinical
Structure Type MOL
InChI Key UFTLGLOWZBFFND-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
2.28
ALogP
7
HBA
1
HBD
112.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClN7O2
MW 427.90
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5B
CHEMBL3774295
IC50 7.19 6.855 65.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32883639 10.1016/j.ejmech.2020.112760 Lysine-specific demethylase 5B 2

Data from ChEMBL 36 via Core Engine