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Compound Detail

CHEMBL5285656

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O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(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)c(Br)c2)C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285656
Phase Preclinical
Structure Type MOL
InChI Key HNJIHVJEXHLYFR-NGNRVXSZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

988.0
MW (Da)
6.51
ALogP
6
HBA
4
HBD
157.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C56H55BrN6O6
MW 988.00
Aromatic Rings 5
Heavy Atoms 69
NP-Likeness -0.45

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