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Compound Detail

CHEMBL5209476

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CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)C(=O)C1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5209476
Phase Preclinical
Structure Type MOL
InChI Key DFFCPRJXCBRFLI-PXLJZGITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

688.8
MW (Da)
2.91
ALogP
6
HBA
2
HBD
122.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H44N6O5
MW 688.83
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
34592608 10.1016/j.ejmech.2021.113848 Human immunodeficiency virus 1 2
34592608 10.1016/j.ejmech.2021.113848 ADMET 2
34592608 10.1016/j.ejmech.2021.113848 MT4 1

Data from ChEMBL 36 via Core Engine