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Compound Detail

CHEMBL1475299

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Cc1ccc(NC(=O)NC2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1C

Basic Information

ChEMBL ID CHEMBL1475299
Phase Preclinical
Structure Type MOL
InChI Key SLCDFNJXIIFLHY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.00
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O4
MW 381.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.88

Activity Summary

IC50 3 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor coactivator 3
CHEMBL1615382
IC50 5.97 5.97 1077.0 1
Nuclear receptor coactivator 1
CHEMBL1615387
IC50 5.22 5.22 6003.0 1
Tegument protein VP16
CHEMBL4218
IC50 4.69 4.69 20604.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine