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Compound Detail

CHEMBL498321

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O=C(Nc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCO)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498321
Phase Preclinical
Structure Type MOL
InChI Key QRCVHXPKQZSFLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
1.94
ALogP
5
HBA
3
HBD
108.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O5
MW 352.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
18665580 10.1021/jm8003784 Human immunodeficiency virus type 1 integrase 2
18665580 10.1021/jm8003784 Human immunodeficiency virus 1 1
18665580 10.1021/jm8003784 MT4 1

Data from ChEMBL 36 via Core Engine