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Compound Detail

CHEMBL5194041

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Cc1ccc(N2N=C(C34CC5CC(CC(C5)C3)C4)CC2=O)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194041
Phase Preclinical
Structure Type MOL
InChI Key LTWYEZOHABPGSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.61
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O
MW 322.45
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.57

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