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Compound Detail

CHEMBL4876877

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COCCOc1cc2ncnc(Sc3ccc(Cl)cc3)c2cc1OCCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4876877
Phase Preclinical
Structure Type MOL
InChI Key NCNLXBSONIBAFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.9
MW (Da)
4.48
ALogP
7
HBA
0
HBD
62.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN2O4S
MW 420.92
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.17

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