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Compound Detail

CHEMBL4438598

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Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n(C(c3ccccc3)C3CCOCC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438598
Phase Preclinical
Structure Type MOL
InChI Key KGERZPVQIRYWRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.54
ALogP
7
HBA
1
HBD
78.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33N5O2
MW 495.63
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 1

Data from ChEMBL 36 via Core Engine