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Compound Detail

CHEMBL5199483

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CCCCCCN(C)CCn1cc(-c2cc(C(=O)O)ccn2)nn1

Basic Information

ChEMBL ID CHEMBL5199483
Phase Preclinical
Structure Type MOL
InChI Key CSYJKVLAIVFBBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.55
ALogP
6
HBA
1
HBD
84.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N5O2
MW 331.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5C
CHEMBL2163176
IC50 8.06 8.06 8.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35101649 10.1016/j.ejmech.2022.114143 Lysine-specific demethylase 5C 1

Data from ChEMBL 36 via Core Engine