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Compound Detail

CHEMBL536502

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CCNCCCCNCCCCNCCCCNCCCCNC/C=C/CNCCCCNCCCCNCCCCNCCCCNCC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536502
Phase Preclinical
Structure Type MOL
InChI Key IRQSPLYQPGHYKV-QUABFQRHSA-N
Parent Compound CHEMBL226102
Active Moiety CHEMBL226102
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

711.2
MW (Da)
3.72
ALogP
10
HBA
10
HBD
120.3
PSA (Ų)
0.03
QED
2
Ro5 Violations
46
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H91ClN10
MW 747.69
Aromatic Rings 0
Heavy Atoms 50
NP-Likeness -0.03

Literature References

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

Data from ChEMBL 36 via Core Engine