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Compound Detail

CHEMBL5197289

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COc1cccc(-c2cccc3c2CCN3C(=O)c2ccc(CNCCO)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197289
Phase Preclinical
Structure Type MOL
InChI Key LTZCWBQZDPHQAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.04
ALogP
5
HBA
2
HBD
74.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O3
MW 403.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
35231577 10.1016/j.bmcl.2022.128647 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine