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Compound Detail

CHEMBL608787

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[C@@H]2[C@@H](O)[C@H](OS(=O)(=O)O)[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3N)[C@]2(O)C(=O)[C@@H](N)CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608787
Phase Preclinical
Structure Type MOL
InChI Key NZQPOWVBAQYZCY-ZBYGLENMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

757.7
MW (Da)
-8.89
ALogP
24
HBA
13
HBD
421.3
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H39N7O18S
MW 757.69
Aromatic Rings 2
Heavy Atoms 51
NP-Likeness 1.33

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