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Compound Detail

CHEMBL536291

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CCNC/C=C\CNC/C=C\CNC/C=C\CNCC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536291
Phase Preclinical
Structure Type MOL
InChI Key AQJFPVVPYLIMMJ-JTWPGVSUSA-N
Parent Compound CHEMBL128344
Active Moiety CHEMBL128344
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

280.5
MW (Da)
1.05
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H33ClN4
MW 316.92
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
17116678 10.1128/aac.01193-06 Leishmania donovani 2
11462979 10.1021/jm000309t LNCaP 1
11462979 10.1021/jm000309t DU-145 1
11462979 10.1021/jm000309t DuPro 1
11462979 10.1021/jm000309t PC-3 1

Data from ChEMBL 36 via Core Engine