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Compound Detail

CHEMBL2441130

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CC1(C)Oc2c(c3nccnc3c3ccccc23)C1n1cc(-c2ccccc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441130
Phase Preclinical
Structure Type MOL
InChI Key PTIRYWCTCKOJNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
4.80
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N5O
MW 393.45
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.13

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