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Compound Detail

CHEMBL3145438

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Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3145438
Phase Preclinical
Structure Type MOL
InChI Key JKCMHDUAYYGILX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.2
MW (Da)
4.25
ALogP
3
HBA
2
HBD
66.5
PSA (Ų)
0.56
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 C18H14Cl2N4O
MW 373.24
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
24461353 10.1016/j.bmcl.2014.01.008 Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 2

Data from ChEMBL 36 via Core Engine