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Compound Detail

CHEMBL4848587

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Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc(-c3ccccc3)cs1)C(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4848587
Phase Preclinical
Structure Type MOL
InChI Key DUGNXOWLIRTAID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
7.24
ALogP
5
HBA
0
HBD
62.5
PSA (Ų)
0.25
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 C30H26N4O2S
MW 506.63
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.17

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