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Compound Detail

CHEMBL5434542

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COc1ccccc1C(=O)c1c[nH]c(CC2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5434542
Phase Preclinical
Structure Type MOL
InChI Key NKGSTEXUKFVMTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
3.53
ALogP
5
HBA
2
HBD
112.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O5
MW 431.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
37155735 10.1021/acs.jmedchem.2c01937 Histone acetyltransferase KAT8 1
37155735 10.1021/acs.jmedchem.2c01937 Histone acetyltransferase p300 1
37155735 10.1021/acs.jmedchem.2c01937 Histone acetyltransferase KAT2B 1

Data from ChEMBL 36 via Core Engine