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Compound Detail

CHEMBL1205940

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O=C(O)/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205940
Phase Preclinical
Structure Type MOL
InChI Key DUTADUJHYPRQPG-OWOJBTEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.1
MW (Da)
3.27
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7Cl2NO4
MW 300.10
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
30048589 10.1021/acs.jmedchem.7b01768 Uracil nucleotide/cysteinyl leukotriene receptor 2

Data from ChEMBL 36 via Core Engine