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Compound Detail

CHEMBL28295

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CCCn1c(=O)n(C)c(=O)c2c1ncn2CCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28295
Phase Preclinical
Structure Type MOL
InChI Key CPQQGQFCMYZNMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
0.26
ALogP
7
HBA
0
HBD
65.1
PSA (Ų)
0.77
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 C14H23N5O2
MW 293.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
8496906 10.1021/jm00062a010 Cavia porcellus 2
8496906 10.1021/jm00062a010 NON-PROTEIN TARGET 1
8496906 10.1021/jm00062a010 Phosphodiesterase 4 1
8496906 10.1021/jm00062a010 Adenosine receptor A1 1
8496906 10.1021/jm00062a010 Adenosine A2 receptor 1
12243872 10.1016/s0378-4274(02)00227-8 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine