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Compound Detail

CHEMBL5562211

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNCc2ccc(-c3ccccc3)cc2)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562211
Phase Preclinical
Structure Type MOL
InChI Key HTVPSHLOQHDPQV-HUBRGWSESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
2.61
ALogP
10
HBA
4
HBD
131.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O3S
MW 506.63
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
38359536 10.1016/j.ejmech.2024.116212 Protein arginine N-methyltransferase 7 1

Data from ChEMBL 36 via Core Engine