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Compound Detail

CHEMBL32801

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CCCn1c(=O)c2nc(-c3cc(NC(=O)[C@@H](C)c4ccccc4)nn3C)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32801
Phase Preclinical
Structure Type MOL
InChI Key KRUNMPJEYMUFHP-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
2.85
ALogP
8
HBA
2
HBD
119.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N7O3
MW 463.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
14998332 10.1021/jm0309654 Adenosine receptor A1 1
14998332 10.1021/jm0309654 Adenosine receptor A2a 1
14998332 10.1021/jm0309654 Adenosine receptor A2b 1
14998332 10.1021/jm0309654 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine