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Compound Detail

CHEMBL5811206

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CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5811206
Phase Preclinical
Structure Type MOL
InChI Key ITQXAHCGHSTZBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.0
MW (Da)
3.02
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN4O4S
MW 479.00
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
 IC50 8.25 8.25 5.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-lysine N-methyltransferase SUV39H2 IC50 = 5.61 nM 8.25 Suv 39H2 Assay: Assay buffer (4 μL) was added into all the wells, including test... -

Data from ChEMBL 36 via Core Engine