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Compound Detail

CHEMBL608900

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CN1N=C(NC(=O)c2ccccc2)c2cn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608900
Phase Preclinical
Structure Type MOL
InChI Key YGBKJDHHNOQVAZ-VBFWCBHKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
-0.42
ALogP
10
HBA
4
HBD
145.3
PSA (Ų)
0.44
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 C20H20N6O5
MW 424.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
10882373 10.1021/jm990236h ADMET 2
10882373 10.1021/jm990236h HFF 2
10882373 10.1021/jm990236h Human immunodeficiency virus type 1 reverse transcriptase 1
10882373 10.1021/jm990236h CEM-SS 1

Data from ChEMBL 36 via Core Engine