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Compound Detail

CHEMBL222219

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CC1CCC2N(C1)CC1C3(O)CC45OC6(O)C(O)CCC4(C)C6CCC5C3(O)CC(O)C13C(C)(O)C23O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222219
Phase Preclinical
Structure Type MOL
InChI Key XRDIRAZKXFDOQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

521.6
MW (Da)
-0.53
ALogP
9
HBA
7
HBD
154.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43NO8
MW 521.65
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 2.35

Literature References

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

Data from ChEMBL 36 via Core Engine