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Compound Detail

CHEMBL5200767

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O=C1CC(C23CC4CC(CC(C4)C2)C3)=NN1c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200767
Phase Preclinical
Structure Type MOL
InChI Key XEDVNFGDJVQAEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.39
ALogP
3
HBA
0
HBD
45.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O
MW 295.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
35429911 10.1016/j.ejmech.2022.114343 Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine