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Compound Detail

CHEMBL2441131

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CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C1n1cc(-c2ccccc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441131
Phase Preclinical
Structure Type MOL
InChI Key WBTLXJMRDVPJHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
5.96
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21N5O
MW 443.51
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
24074878 10.1016/j.bmc.2013.08.055 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine