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Compound Detail

CHEMBL412516

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C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL412516
Phase Preclinical
Structure Type MOL
InChI Key KXGVEGMKQFWNSR-OFYXWCICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.6
MW (Da)
4.48
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H40O4
MW 392.58
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.70

Literature References

PubMed DOI Target Context # Activities
15615517 10.1021/jm049504o Bifunctional purine biosynthesis protein ATIC 1

Data from ChEMBL 36 via Core Engine