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Compound Detail

CHEMBL4743299

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Cc1nc(NC(=O)NC2CCCCC2)c(C)c(C(OC(C)(C)C)C(=O)O)c1-c1ccc2c(c1)NCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743299
Phase Preclinical
Structure Type MOL
InChI Key ATXNOHGZMBGCBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
5.56
ALogP
6
HBA
4
HBD
121.8
PSA (Ų)
0.40
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N4O5
MW 510.64
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
33316407 10.1016/j.bmcl.2020.127742 Human immunodeficiency virus 1 2
33316407 10.1016/j.bmcl.2020.127742 MT4 1

Data from ChEMBL 36 via Core Engine