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Compound Detail

CHEMBL4790523

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Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCCCCCCCN1C(=O)N(C)c3ccc(-c4c(C)noc4C)cc3C1c1ccccc1)C(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4790523
Phase Preclinical
Structure Type MOL
InChI Key YCJPKEGNZFJRBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

805.0
MW (Da)
11.97
ALogP
6
HBA
0
HBD
99.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H56N6O4
MW 805.04
Aromatic Rings 6
Heavy Atoms 60
NP-Likeness -0.40

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