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Compound Detail

CHEMBL3212967

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O=C(N/N=C/c1ccco1)C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3212967
Phase Preclinical
Structure Type MOL
InChI Key YERIRFPGVRFZTE-LICLKQGHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
2.95
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.68
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 C16H20N2O2
MW 272.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00035E Trypanosoma brucei 2
- 10.1039/C6MD00035E Trypanosoma cruzi 2
- 10.1039/C6MD00035E L6 1

Data from ChEMBL 36 via Core Engine