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Compound Detail

CHEMBL6005713

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Cn1cc2cc(-c3cnc4c(ccn4C[C@@H]4CCNC4)c3-c3ccc(C#N)cc3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6005713
Phase Preclinical
Structure Type MOL
InChI Key KNHQPIRQPGOJTK-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.74
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N6
MW 432.53
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 62.0 nM 7.21 LSD1 Activity: Human recombinant LSD1 protein expressed in E. coli cells was pur... -

Data from ChEMBL 36 via Core Engine