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Compound Detail

CHEMBL316710

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C#C[C@@H]1[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316710
Phase Preclinical
Structure Type MOL
InChI Key PHEFAKIGHSSOGV-MVHNUAHISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

251.2
MW (Da)
-1.67
ALogP
7
HBA
3
HBD
110.6
PSA (Ų)
0.54
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 C11H13N3O4
MW 251.24
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.22

Literature References

PubMed DOI Target Context # Activities
9667977 10.1021/jm9801814 Sarcoma-180 2
9667977 10.1021/jm9801814 L1210 1
9667977 10.1021/jm9801814 KB 1

Data from ChEMBL 36 via Core Engine