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Compound Detail

CHEMBL3318492

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N#Cc1c[nH]c2nc(N)nc(N3CCCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318492
Phase Preclinical
Structure Type MOL
InChI Key PDJSVEHYHPDDHH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
1.01
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N6
MW 228.26
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25007262 10.1021/jm500483b Trypanosoma brucei brucei 2
25007262 10.1021/jm500483b Unchecked 1
25007262 10.1021/jm500483b ADMET 1

Data from ChEMBL 36 via Core Engine