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Compound Detail

CHEMBL4741351

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COc1cccc(C2(F)CC2N)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4741351
Phase Preclinical
Structure Type MOL
InChI Key DLSUFYOMAGXJTN-UHFFFAOYSA-N
Parent Compound CHEMBL4802400
Active Moiety CHEMBL4802400
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

181.2
MW (Da)
1.59
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13ClFNO
MW 217.67
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
33007549 10.1016/j.bmc.2020.115726 Sigma intracellular receptor 2 2
33007549 10.1016/j.bmc.2020.115726 Sigma non-opioid intracellular receptor 1 2
33007549 10.1016/j.bmc.2020.115726 No relevant target 2
33007549 10.1016/j.bmc.2020.115726 Unchecked 2

Data from ChEMBL 36 via Core Engine