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Compound Detail

CHEMBL2171862

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COC(=O)c1ccccc1Nc1c(O)ccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171862
Phase Preclinical
Structure Type MOL
InChI Key QKFQNDYOMJOPGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
4.08
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.56
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 C18H15NO3
MW 293.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
22966981 10.1021/jm301105m Unchecked 1
26150289 10.1016/j.ejmech.2015.06.036 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine