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Compound Detail

CHEMBL5093511

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C#CC[C@H](NCc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5093511
Phase Preclinical
Structure Type MOL
InChI Key QEVQDSOXNYAYCN-KYJUHHDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

520.7
MW (Da)
4.96
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H36N4O2
MW 520.68
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
34571172 10.1016/j.ejmech.2021.113863 Unchecked 2
34571172 10.1016/j.ejmech.2021.113863 SARS-CoV-2 2
34571172 10.1016/j.ejmech.2021.113863 Vero 2
34571172 10.1016/j.ejmech.2021.113863 Spike glycoprotein 1

Data from ChEMBL 36 via Core Engine