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Compound Detail

CHEMBL4632371

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NC1CC1/C=C/c1ccccc1

Basic Information

ChEMBL ID CHEMBL4632371
Phase Preclinical
Structure Type MOL
InChI Key TZMYYZQXSJIVJU-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

159.2
MW (Da)
2.05
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N
MW 159.23
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.91

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 6.35 6.35 444.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32551003 10.1021/acsmedchemlett.0c00060 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine