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Compound Detail

CHEMBL5207923

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COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c3ccccc3)C(=O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207923
Phase Preclinical
Structure Type MOL
InChI Key BILLFGZCKJTUQX-ZPGRZCPFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

718.9
MW (Da)
2.92
ALogP
7
HBA
2
HBD
131.6
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H46N6O6
MW 718.86
Aromatic Rings 4
Heavy Atoms 53
NP-Likeness -0.89

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