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Compound Detail

CHEMBL3218501

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Cc1cc2c(Oc3cnc(C(=O)N(C)C)cn3)cc(C(=O)Nc3ncccn3)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218501
Phase Preclinical
Structure Type MOL
InChI Key WSWXOYZOFUQZAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
3.07
ALogP
8
HBA
1
HBD
123.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N6O4
MW 418.41
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00116G Hexokinase-4 1
- 10.1039/C1MD00116G Liver microsome 1
- 10.1039/C1MD00116G ADMET 1
- 10.1039/C1MD00116G No relevant target 1
- 10.1039/C1MD00116G Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine