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Compound Detail

CHEMBL535841

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CCCCCCCCCCCCCC1CCN(CCCN)CCCN(C)CCCCN(C)CCCCN1C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535841
Phase Preclinical
Structure Type MOL
InChI Key IMINROMVHPPQQW-UHFFFAOYSA-N
Parent Compound CHEMBL1188268
Active Moiety CHEMBL1188268
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

538.0
MW (Da)
6.86
ALogP
5
HBA
1
HBD
39.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H72ClN5
MW 574.43
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness -0.09

Literature References

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

Data from ChEMBL 36 via Core Engine