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Compound Detail

CHEMBL1089167

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CNC1CCN(c2ncnc3c2oc2ccc(C(=O)O)cc23)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089167
Phase Preclinical
Structure Type MOL
InChI Key WGTFQISCWQAIJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
1.87
ALogP
6
HBA
2
HBD
91.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O3
MW 312.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
20299215 10.1016/j.bmcl.2010.02.097 ADMET 1
20299215 10.1016/j.bmcl.2010.02.097 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine