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Compound Detail

CHEMBL2335109

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O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2335109
Phase Preclinical
Structure Type MOL
InChI Key OGFLOCMJWUVXIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

305.7
MW (Da)
2.94
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.77
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 C13H8ClN3O4
MW 305.68
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.13

Literature References

PubMed DOI Target Context # Activities
23416191 10.1016/j.ejmech.2013.01.023 PANC-1 1
23416191 10.1016/j.ejmech.2013.01.023 ASPC1 1
23416191 10.1016/j.ejmech.2013.01.023 MDA-MB-231 1
23416191 10.1016/j.ejmech.2013.01.023 MCF7 1

Data from ChEMBL 36 via Core Engine