Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5075050

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(I)cc4)ncn3C3CCNCC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5075050
Phase Preclinical
Structure Type MOL
InChI Key WLSHCIVGCCUTNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

565.5
MW (Da)
6.20
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28IN5O
MW 565.46
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.01

Literature References

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

Data from ChEMBL 36 via Core Engine