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Compound Detail

CHEMBL4782388

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CC(C)(C#N)c1ccc(Nc2ncnc3c2CNCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782388
Phase Preclinical
Structure Type MOL
InChI Key FWMMFRVJOLKZHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
2.67
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5
MW 293.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
33479690 10.1039/d0md00103a Trypanosoma brucei brucei 1
33479690 10.1039/d0md00103a MRC5 1
33479690 10.1039/d0md00103a No relevant target 1

Data from ChEMBL 36 via Core Engine