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Compound Detail

CHEMBL5288737

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Cc1c(-c2ccccc2)cccc1-c1nc2c(s1)CN(C[C@H](C)O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5288737
Phase Preclinical
Structure Type MOL
InChI Key HABSDVBVXAIOBF-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.52
ALogP
4
HBA
1
HBD
36.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2OS
MW 364.51
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
36126447 10.1016/j.bmc.2022.117001 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine