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Compound Detail

CHEMBL4850461

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O=C(C1CCN(c2nc3ncccc3s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850461
Phase Preclinical
Structure Type MOL
InChI Key TXYWWFNBYUTPBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
2.98
ALogP
8
HBA
0
HBD
71.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5O3S
MW 465.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
33766770 10.1016/j.bmcl.2021.127986 Monoglyceride lipase 2

Data from ChEMBL 36 via Core Engine