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Compound Detail

CHEMBL4517822

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O=C1c2ccccc2C(=O)N1Cc1ccc(O)c2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517822
Phase Preclinical
Structure Type MOL
InChI Key AHQPELXRFVVVKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
2.74
ALogP
4
HBA
1
HBD
70.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N2O3
MW 304.30
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.71

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