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Compound Detail

CHEMBL5916224

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Nc1ccccc1NC(=O)c1coc(CCCN2CCC(CNC3CC3c3ccccc3)CC2)n1

Basic Information

ChEMBL ID CHEMBL5916224
Phase Preclinical
Structure Type MOL
InChI Key NZNMKONNDJLCPD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
4.30
ALogP
6
HBA
3
HBD
96.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35N5O2
MW 473.62
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 7.62 7.62 24.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine