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Compound Detail

CHEMBL2312982

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Cn1c(=O)c2c(cc(-c3nc4ccc(Cl)cc4o3)n2C)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312982
Phase Preclinical
Structure Type MOL
InChI Key HCOHLYSYAPVZHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
2.04
ALogP
7
HBA
0
HBD
75.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN4O3
MW 344.76
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
23281824 10.1021/jm301686s Amine oxidase [flavin-containing] B 1
23281824 10.1021/jm301686s Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine