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Compound Detail

CHEMBL517464

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CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCNc4nc(N)nc(N)n4)cn1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517464
Phase Preclinical
Structure Type MOL
InChI Key GNWVHSBVDDUBQF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
0.43
ALogP
12
HBA
4
HBD
169.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31FN10O3
MW 526.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.84

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19250832 10.1016/j.bmc.2009.01.058 Trypanosoma brucei brucei 3

Data from ChEMBL 36 via Core Engine