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Compound Detail

CHEMBL4758215

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Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1cn(CCOCCOCCOCCn3cc(CN4C(=O)Nc5ccc(-c6c(C)noc6C)cc5C4c4ccccc4)nn3)nn1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758215
Phase Preclinical
Structure Type MOL
InChI Key XCRALMJWAJGDLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

959.1
MW (Da)
8.44
ALogP
15
HBA
2
HBD
205.8
PSA (Ų)
0.07
QED
3
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H54N12O7
MW 959.08
Aromatic Rings 8
Heavy Atoms 71
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
33214826 10.1021/acsmedchemlett.0c00294 Bromodomain-containing protein 4 2
33214826 10.1021/acsmedchemlett.0c00294 HCT-116 2
33214826 10.1021/acsmedchemlett.0c00294 BXPC-3 1
33214826 10.1021/acsmedchemlett.0c00294 MIA PaCa-2 1

Data from ChEMBL 36 via Core Engine