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Compound Detail

CHEMBL128718

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CC1(C)N=C(N)N=C(N)N1OCCOc1cc(Cl)c(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128718
Phase Preclinical
Structure Type MOL
InChI Key DJTXXKITUXEJCN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.7
MW (Da)
2.64
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16Cl3N5O2
MW 380.66
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
11689078 10.1021/jm010089z Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine