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Compound Detail

CHEMBL377895

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CCOC(=O)C12CC1(C1CC1)c1cc(Cl)ccc1NC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377895
Phase Preclinical
Structure Type MOL
InChI Key KTUQAHRDGZXTES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.8
MW (Da)
2.89
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClNO3
MW 305.76
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.43

Literature References

PubMed DOI Target Context # Activities
16782337 10.1016/j.bmcl.2006.05.073 HEK293 1
16782337 10.1016/j.bmcl.2006.05.073 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine