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Compound Detail

CHEMBL222865

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O=C(O)C1=C/C(=C/C(c2ccccc2)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222865
Phase Preclinical
Structure Type MOL
InChI Key UNTMAZDQCUPTIA-JXAWBTAJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
5.67
ALogP
4
HBA
3
HBD
111.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H20O6
MW 476.48
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.53

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine