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Compound Detail

CHEMBL218189

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CCCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218189
Phase Preclinical
Structure Type MOL
InChI Key UOQYIXROQIKTLQ-LJLKPOLSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
2.94
ALogP
4
HBA
2
HBD
84.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29N5O2
MW 371.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
17125265 10.1021/jm060539t Adenosine receptor A1 1
17125265 10.1021/jm060539t Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine