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Compound Detail

CHEMBL4535610

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O=C(Cc1ccccc1)N/N=C/c1ccc(O)c2ncccc12

Basic Information

ChEMBL ID CHEMBL4535610
Phase Preclinical
Structure Type MOL
InChI Key JCSQDVFNKQXSSF-UDWIEESQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
2.63
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O2
MW 305.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
IC50 5.33 5.33 4700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 3

Data from ChEMBL 36 via Core Engine