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Compound Detail

CHEMBL2312985

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CCn1c(=O)c2c(cc(C#Cc3ccc(Cl)cc3)n2C)n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312985
Phase Preclinical
Structure Type MOL
InChI Key LDMVNXCBKKEAJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.8
MW (Da)
2.59
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClN3O2
MW 355.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.07

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