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Compound Detail

CHEMBL5080800

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CC(C)(C)c1ccc(N(C(=O)C2=CCCC2)C(C(=O)NC2CCCCC2)c2cnc[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5080800
Phase Preclinical
Structure Type MOL
InChI Key XLYDKACUYILKJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
5.34
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N4O2
MW 448.61
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.01

Literature References

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

Data from ChEMBL 36 via Core Engine