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Compound Detail

CHEMBL5085224

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CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3C3CCN(CCN(C)C)CC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5085224
Phase Preclinical
Structure Type MOL
InChI Key HCFLSFWYYKTMAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

578.7
MW (Da)
6.89
ALogP
7
HBA
0
HBD
59.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37F3N6O
MW 578.68
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
35007061 10.1021/acs.jmedchem.1c01779 Bromodomain-containing protein 4 2
35007061 10.1021/acs.jmedchem.1c01779 Bromodomain testis-specific protein 1
35007061 10.1021/acs.jmedchem.1c01779 Bromodomain-containing protein 2 1

Data from ChEMBL 36 via Core Engine