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Compound Detail

CHEMBL536064

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CCNCCCCNCC1CCC1CNCCCCNCC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536064
Phase Preclinical
Structure Type MOL
InChI Key JCCMVXCEAMZNOC-UHFFFAOYSA-N
Parent Compound CHEMBL131003
Active Moiety CHEMBL131003
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

312.6
MW (Da)
1.97
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H41ClN4
MW 349.01
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
11462979 10.1021/jm000309t LNCaP 2
11462979 10.1021/jm000309t DU-145 2
11462979 10.1021/jm000309t DuPro 2
11462979 10.1021/jm000309t PC-3 2
17116678 10.1128/aac.01193-06 Leishmania donovani 2

Data from ChEMBL 36 via Core Engine