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Compound Detail

CHEMBL569856

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CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(CNS(=O)(=O)c1ccc(NC(C)=O)cc1)CC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL569856
Phase Preclinical
Structure Type MOL
InChI Key NUSAFLBOZPZDRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

566.6
MW (Da)
4.20
ALogP
8
HBA
2
HBD
141.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N2O8S
MW 566.63
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
20050672 10.1021/jm901653e Human immunodeficiency virus 1 1
20050672 10.1021/jm901653e Unchecked 1

Data from ChEMBL 36 via Core Engine