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Compound Detail

CHEMBL6030241

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O=C(NO)c1cccc(CNC2CC2c2ccc(Br)cc2)c1

Basic Information

ChEMBL ID CHEMBL6030241
Phase Preclinical
Structure Type MOL
InChI Key PCKCIFWAROGAFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
3.21
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17BrN2O2
MW 361.24
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine