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Compound Detail

CHEMBL5080265

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CC#CC(=O)N(c1ccc(C(C)(C)C)cc1)C(CN1CC(=O)NC1=O)C(=O)NC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5080265
Phase Preclinical
Structure Type MOL
InChI Key ICLDJVOBVUKFOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
2.71
ALogP
4
HBA
2
HBD
98.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N4O4
MW 466.58
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
34995923 10.1016/j.ejmech.2021.114046 Unchecked 2

Data from ChEMBL 36 via Core Engine