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Compound Detail

CHEMBL5749705

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Cn1cc(-n2ccc(C(=O)NC3CCN(C(=O)c4ccn[nH]4)C3)n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5749705
Phase Preclinical
Structure Type MOL
InChI Key SGBVNPJGRITXAP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
-0.03
ALogP
7
HBA
2
HBD
113.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N8O2
MW 354.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.86

Activity Summary

IC50 1 meas. best 9.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 9.96 9.96 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 0.11 nM 9.96 KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... -

Data from ChEMBL 36 via Core Engine