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Compound Detail

CHEMBL2312986

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CCn1c(=O)c2c(cc(OCc3ccc(Cl)cc3)n2C)n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312986
Phase Preclinical
Structure Type MOL
InChI Key XDRQJLQVHTXTQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.8
MW (Da)
2.77
ALogP
6
HBA
0
HBD
58.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20ClN3O3
MW 361.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.00

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