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Compound Detail

CHEMBL5093547

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CC(C)(C)c1ccc(N(C(=O)/C=C/c2ccccc2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5093547
Phase Preclinical
Structure Type MOL
InChI Key DJDNVPTZDJCWPG-LTGZKZEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.7
MW (Da)
6.62
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37N3O2
MW 495.67
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.16

Literature References

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

Data from ChEMBL 36 via Core Engine