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Compound Detail

CHEMBL1795645

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COc1ccccc1C(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795645
Phase Preclinical
Structure Type MOL
InChI Key LKFCUYWUDZVYQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.65
ALogP
7
HBA
2
HBD
113.7
PSA (Ų)
0.60
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 C23H24N6O3
MW 432.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
21507639 10.1016/j.bmcl.2011.03.097 Trypanosoma brucei brucei 1
21507639 10.1016/j.bmcl.2011.03.097 L929 1

Data from ChEMBL 36 via Core Engine