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Compound Detail

CHEMBL1795642

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COc1ccccc1C(=O)c1cnc(N[C@H]2CC[C@@H](C(=O)Nc3ccccc3)CC2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1795642
Phase Preclinical
Structure Type MOL
InChI Key GIEFWRYEYWDRTK-MAEOIBBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.91
ALogP
7
HBA
3
HBD
119.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O3
MW 445.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.33

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