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Compound Detail

CHEMBL190472

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CCCn1c(=O)c2c(nc3[nH]c(-c4ccc(-c5ccccc5)cc4)cn32)n(Cc2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190472
Phase Preclinical
Structure Type MOL
InChI Key BVGMOOZZMAZRCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
4.93
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N5O2
MW 475.55
Aromatic Rings 6
Heavy Atoms 36
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
16000006 10.1021/jm058008c Adenosine receptor A1 1
16000006 10.1021/jm058008c Adenosine receptor A2a 1
16000006 10.1021/jm058008c Adenosine receptor A3 1
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A1 1
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A2a 1
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A2b 1
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine