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Compound Detail

CHEMBL303797

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Basic Information

ChEMBL ID CHEMBL303797
Phase Preclinical
Structure Type MOL
InChI Key PQAMFDRRWURCFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

96.1
MW (Da)
0.97
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.55
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 C5H8N2
MW 96.13
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
8667357 10.1021/jm950589q No relevant target 1
2066976 10.1021/jm00111a020 No relevant target 1
9435905 10.1021/jm970488n No relevant target 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine