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Compound Detail

CHEMBL536553

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Br.CCNCCCCNCCCCNCCCCNCCCCN(CC)CCCCNCCCCNCCCCNCCCCNCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536553
Phase Preclinical
Structure Type MOL
InChI Key YMNUUICCPMTVRZ-UHFFFAOYSA-N
Parent Compound CHEMBL1188510
Active Moiety CHEMBL1188510
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

670.2
MW (Da)
4.31
ALogP
9
HBA
8
HBD
99.5
PSA (Ų)
0.05
QED
2
Ro5 Violations
43
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H88BrN9
MW 751.09
Aromatic Rings 0
Heavy Atoms 47
NP-Likeness -0.24

Literature References

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

Data from ChEMBL 36 via Core Engine