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Compound Detail

CHEMBL173097

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CC(=O)N(C(C)=O)c1nc2c(c(=O)n(C)c(=O)n2C)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173097
Phase Preclinical
Structure Type MOL
InChI Key BIOUARHQIQNYBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
-1.13
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N5O4
MW 293.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine