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Compound Detail

CHEMBL1672011

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Nc1ncnc2c1ncn2[C@@H]1C(Cl)=C[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672011
Phase Preclinical
Structure Type MOL
InChI Key USJLMVLXKZMTIF-LPBLVHEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.7
MW (Da)
-0.19
ALogP
7
HBA
3
HBD
110.1
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 C10H10ClN5O2
MW 267.68
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
21226494 10.1021/jm1010836 Adenosylhomocysteinase 2

Data from ChEMBL 36 via Core Engine