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Compound Detail

CHEMBL467351

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O=C(CC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)C(=O)CC(=O)c2ccccc2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467351
Phase Preclinical
Structure Type MOL
InChI Key HRHZCYLRORFMDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.3
MW (Da)
2.65
ALogP
6
HBA
0
HBD
108.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20Cl2N2O6
MW 503.34
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
18644730 10.1016/j.bmc.2008.07.008 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine