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Compound Detail

CHEMBL5219915

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COc1ccc2nc3cc(Cl)ccc3c(N3CCOCC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5219915
Phase Preclinical
Structure Type MOL
InChI Key PGPYQARORQHVPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
3.89
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2O2
MW 328.80
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
36208544 10.1016/j.bmc.2022.117043 SH-SY5Y 1
36208544 10.1016/j.bmc.2022.117043 SK-N-AS 1
36208544 10.1016/j.bmc.2022.117043 HT-1080 1

Data from ChEMBL 36 via Core Engine