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Compound Detail

CHEMBL4859291

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Cc1nc(-c2ccccc2)sc1CN1C(=O)N(C)c2ccc(-c3c(C)noc3C)cc2C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859291
Phase Preclinical
Structure Type MOL
InChI Key XMNBFCDYZZYUAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

520.7
MW (Da)
7.55
ALogP
5
HBA
0
HBD
62.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28N4O2S
MW 520.66
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
33862375 10.1016/j.bmc.2021.116133 Bromodomain-containing protein 4 2
33862375 10.1016/j.bmc.2021.116133 MCF-10A 1
33862375 10.1016/j.bmc.2021.116133 CT26 1
33862375 10.1016/j.bmc.2021.116133 MCF7 1
33862375 10.1016/j.bmc.2021.116133 HepG2 1
33862375 10.1016/j.bmc.2021.116133 HCT-116 1
33862375 10.1016/j.bmc.2021.116133 U-266 1

Data from ChEMBL 36 via Core Engine