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Compound Detail

CHEMBL5274358

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O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C(=O)Cc2ccc(CC(=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)C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274358
Phase Preclinical
Structure Type MOL
InChI Key XXACQTYICHGVSH-XVLAHCRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

937.1
MW (Da)
5.61
ALogP
6
HBA
4
HBD
157.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C58H60N6O6
MW 937.15
Aromatic Rings 5
Heavy Atoms 70
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
33346636 10.1021/acs.jmedchem.0c01627 Toll-like receptor 1/2 2

Data from ChEMBL 36 via Core Engine