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Compound Detail

CHEMBL5189552

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COc1ccccc1CNC[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189552
Phase Preclinical
Structure Type MOL
InChI Key FQHINUUSCSNGMF-PDGJWGCVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.6
MW (Da)
2.94
ALogP
5
HBA
3
HBD
73.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H41N3O3
MW 431.62
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
35872393 10.1016/j.ejmech.2022.114608 Unchecked 2
35872393 10.1016/j.ejmech.2022.114608 Huh-7 1

Data from ChEMBL 36 via Core Engine