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Compound Detail

CHEMBL1197885

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CCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197885
Phase Preclinical
Structure Type MOL
InChI Key TXAHZBLJKKTYRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.55
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.74
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 C18H18N2O
MW 278.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
31284086 10.1016/j.ejmech.2019.06.062 Cruzipain 2
31284086 10.1016/j.ejmech.2019.06.062 Rhodesain 2

Data from ChEMBL 36 via Core Engine