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Compound Detail

CHEMBL4867831

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C#Cc1cccc(Nc2ncnc3cc(OCc4ccccc4)c(OC)cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867831
Phase Preclinical
Structure Type MOL
InChI Key TZKBDZHEJIQJLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.94
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O2
MW 381.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
34416665 10.1016/j.ejmech.2021.113778 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine