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Compound Detail

CHEMBL18659

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CCCCCCC(C(C)O)n1ccc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL18659
Phase Preclinical
Structure Type MOL
InChI Key XJXHFKSYERWTQJ-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
2.91
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N4O
MW 276.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.04

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
3339608 10.1021/jm00397a021 Adenosine deaminase 2
3339608 10.1021/jm00397a021 HeLa 2
3339608 10.1021/jm00397a021 KB 2
3339608 10.1021/jm00397a021 P388 2
8289197 10.1021/jm00027a026 Adenosine deaminase 1
3339608 10.1021/jm00397a021 L1210 1
2002459 10.1021/jm00107a044 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine