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Compound Detail

CHEMBL538082

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CCNCCCCNC/C=C\CNCCCCNCCCCNCC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538082
Phase Preclinical
Structure Type MOL
InChI Key JNZOGBYQEPWCQH-KSIDEHCFSA-N
Parent Compound CHEMBL133869
Active Moiety CHEMBL133869
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.6
MW (Da)
1.87
ALogP
5
HBA
5
HBD
60.1
PSA (Ų)
0.16
QED
0
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H46ClN5
MW 392.08
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
17116678 10.1128/aac.01193-06 Leishmania donovani 2

Data from ChEMBL 36 via Core Engine