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Compound Detail

CHEMBL4546494

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Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)n2ccn(C)c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4546494
Phase Preclinical
Structure Type MOL
InChI Key YDMOIQLEOJEWLY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
3.78
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O4S
MW 423.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
32208600 10.1021/acs.jmedchem.9b01784 Bromodomain-containing protein 4 3
32208600 10.1021/acs.jmedchem.9b01784 Histone acetyltransferase p300 1

Data from ChEMBL 36 via Core Engine