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Compound Detail

CHEMBL4871817

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COc1cc(N2CCN(C(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4871817
Phase Preclinical
Structure Type MOL
InChI Key LOMMOGCVSFLSJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.7
MW (Da)
4.52
ALogP
8
HBA
0
HBD
67.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N4O4S
MW 510.66
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.57

Literature References

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

Data from ChEMBL 36 via Core Engine