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Compound Detail

CHEMBL2368120

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C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(O)nc(N)nc32)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368120
Phase Preclinical
Structure Type MOL
InChI Key YJNWCKUDAMXWKN-OEBFKYMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
-2.27
ALogP
10
HBA
5
HBD
159.8
PSA (Ų)
0.39
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 C12H13N5O5
MW 307.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.75

Literature References

PubMed DOI Target Context # Activities
8960561 10.1021/jm960537g L1210 1
8960561 10.1021/jm960537g KB 1

Data from ChEMBL 36 via Core Engine