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Compound Detail

CHEMBL5277379

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Cc1cc(CNCCO)cc2nc(-c3cccc(-c4ccc5c(c4)OCCO5)c3C#N)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5277379
Phase Preclinical
Structure Type MOL
InChI Key SZFLERAWEJDTCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.20
ALogP
7
HBA
2
HBD
100.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23N3O4
MW 441.49
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.80

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