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Compound Detail

CHEMBL5954839

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Cc1[nH]c(-c2cccc3[nH]cnc23)c2c1C(=O)CCC2

Basic Information

ChEMBL ID CHEMBL5954839
Phase Preclinical
Structure Type MOL
InChI Key JZCJXICMFMLUJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.39
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O
MW 265.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.33

Activity Summary

Ki 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
Ki 5.73 5.73 1860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine