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Compound Detail

CHEMBL5270695

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CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)NCCCC)[C@H](C(=O)NCCCC)C3)cc2)C[C@H]1C(=O)NCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5270695
Phase Preclinical
Structure Type MOL
InChI Key ZGFUGCLQVQZXDA-SKKKGAJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

668.9
MW (Da)
2.73
ALogP
6
HBA
4
HBD
157.0
PSA (Ų)
0.18
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H56N6O6
MW 668.88
Aromatic Rings 1
Heavy Atoms 48
NP-Likeness -0.43

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