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Compound Detail

CHEMBL5287322

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Cc1c(-c2ccccc2)ccnc1-c1nc2c(s1)CN(C1CCC(C(=O)O)CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5287322
Phase Preclinical
Structure Type MOL
InChI Key CQXFQZCRJLGRJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
5.18
ALogP
5
HBA
1
HBD
66.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O2S
MW 433.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.67

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