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Compound Detail

CHEMBL492683

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CNC(=O)c1nc(C(C)(C)NC(=O)C(=O)N(C)C)n(C)c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492683
Phase Preclinical
Structure Type MOL
InChI Key VMRRYTKSDJEWBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
-1.71
ALogP
7
HBA
3
HBD
133.6
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 C14H21N5O5
MW 339.35
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
18763751 10.1021/jm800245z Human immunodeficiency virus 1 2
18763751 10.1021/jm800245z Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine