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Compound Detail

CHEMBL123461

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OC[C@@H]1OC[C@@H](n2cnc3ncnc(O)c32)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123461
Phase Preclinical
Structure Type MOL
InChI Key YZXMCBQXCGIBEC-NTSWFWBYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
-0.60
ALogP
8
HBA
2
HBD
102.5
PSA (Ų)
0.72
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 C9H10N4O4
MW 238.20
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
8421287 10.1021/jm00053a004 ADMET 2
8421287 10.1021/jm00053a004 Vero 1
8421287 10.1021/jm00053a004 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine