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Compound Detail

CHEMBL4877380

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COCCOc1cc2ncnc(Sc3ccccn3)c2cc1OCCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877380
Phase Preclinical
Structure Type MOL
InChI Key LUBIWLCVTPFFKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
3.23
ALogP
8
HBA
0
HBD
75.6
PSA (Ų)
0.39
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 C19H21N3O4S
MW 387.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.06

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