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Compound Detail

CHEMBL5407272

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O=C(N[C@H]1C[C@@H]1c1ccccc1)C1CCN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407272
Phase Preclinical
Structure Type MOL
InChI Key JFFQASCBEGCOAU-VKFTYTEPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

763.9
MW (Da)
5.24
ALogP
5
HBA
3
HBD
127.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H49N5O5
MW 763.94
Aromatic Rings 4
Heavy Atoms 57
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
36174413 10.1016/j.ejmech.2022.114771 Toll-like receptor 2 1

Data from ChEMBL 36 via Core Engine