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Compound Detail

CHEMBL259761

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O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)OCC(=O)c3ccccc3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259761
Phase Preclinical
Structure Type MOL
InChI Key RQEMPLKVXLHJAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
3.23
ALogP
6
HBA
1
HBD
118.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15NO7
MW 429.38
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 2
18036821 10.1016/j.bmc.2007.11.018 Autotaxin 1
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine