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Compound Detail

CHEMBL5945932

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

Basic Information

ChEMBL ID CHEMBL5945932
Phase Preclinical
Structure Type MOL
InChI Key LXGAOGLHQMPZIY-OUAUKWLOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
1.22
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21FN4O2
MW 308.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 10.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 10.6 10.6 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 0.025 nM 10.6 KDM5 Enzyme Assay: Full length KDM5A enzyme was expressed and purified inhouse. ... -

Data from ChEMBL 36 via Core Engine