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Compound Detail

CHEMBL170701

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N=C(N)NCCOCCOCCn1cnc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170701
Phase Preclinical
Structure Type MOL
InChI Key NLLIMPPCKDDUQD-UHFFFAOYSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
-1.08
ALogP
8
HBA
4
HBD
150.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N8O2
MW 308.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.89

Activity Summary

IC50 2 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00140-0 cAMP-dependent protein kinase A 4

Data from ChEMBL 36 via Core Engine