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Compound Detail

CHEMBL375406

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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2OC1(O)C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375406
Phase Preclinical
Structure Type MOL
InChI Key PSDYWXVFQWCFEU-MQFBBAGASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.28
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.56
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 C27H30O5
MW 434.53
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.69

Literature References

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

Data from ChEMBL 36 via Core Engine