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Compound Detail

CHEMBL6053239

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CCC(C)c1cc(C(=O)N2CC[C@@H](CC(=O)[C@@H]3C[C@@H]3F)C2)[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6053239
Phase Preclinical
Structure Type MOL
InChI Key LPUQBMAGZFGCTM-WVMKXHBISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
2.70
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24FN3O2
MW 321.40
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 10.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 10.43 10.43 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 0.037 nM 10.43 KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... -

Data from ChEMBL 36 via Core Engine