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Compound Detail

CHEMBL2367598

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CN1N=C(N)c2cn([C@H]3C=C[C@@H](CO)O3)c3ncnc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2367598
Phase Preclinical
Structure Type MOL
InChI Key CEUZYQOSYZVMSQ-IONNQARKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
-0.05
ALogP
8
HBA
2
HBD
101.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6O2
MW 286.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
10882371 10.1021/jm990205m HFF 2
10882371 10.1021/jm990205m CEM-SS 2
10882371 10.1021/jm990205m L1210 1
10882371 10.1021/jm990205m KB 1
10882371 10.1021/jm990205m Human immunodeficiency virus type 1 reverse transcriptase 1
10882371 10.1021/jm990205m ADMET 1

Data from ChEMBL 36 via Core Engine