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Compound Detail

CHEMBL3260732

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COc1ccc(-c2ccccc2)c2cc(C(=O)N3CCOCC3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3260732
Phase Preclinical
Structure Type MOL
InChI Key MNDYIAJHMUZJFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.58
ALogP
4
HBA
0
HBD
51.9
PSA (Ų)
0.73
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 C20H19NO4
MW 337.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
24164628 10.1021/jm4011669 Adenosine receptor A2a 2
24164628 10.1021/jm4011669 Adenosine receptor A2b 2
24164628 10.1021/jm4011669 Adenosine receptor A1 2
24164628 10.1021/jm4011669 Adenosine receptor A3 1
24164628 10.1021/jm4011669 Mus musculus 1

Data from ChEMBL 36 via Core Engine