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Compound Detail

CHEMBL130697

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CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130697
Phase Preclinical
Structure Type MOL
InChI Key OVVMQIWOMNJQIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.8
MW (Da)
1.72
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20ClN5O2
MW 325.80
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
11689078 10.1021/jm010089z Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine