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Compound Detail

CHEMBL4303786

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COC1CC/C=C/c2cccc(c2)C(CCNC(=O)OC(C)(C)C)OC(=O)C2CCCN(N2)C(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4303786
Phase Preclinical
Structure Type MOL
InChI Key YQEKLLKKZUPDLP-UKTHLTGXSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

685.9
MW (Da)
3.78
ALogP
9
HBA
4
HBD
164.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H55N5O8
MW 685.86
Aromatic Rings 1
Heavy Atoms 49
NP-Likeness 0.97

Pharmacokinetic Data

Parameter Value Units Species
AUC 239.4 - Chlorocebus sabaeus

Literature References

PubMed DOI Target Context # Activities
32353859 10.1038/s41586-020-2286-9 SARS-CoV-2 3
32353859 10.1038/s41586-020-2286-9 Vero C1008 2
32353859 10.1038/s41586-020-2286-9 ADMET 1

Data from ChEMBL 36 via Core Engine