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Compound Detail

CHEMBL86587

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CCNCCCN[C@H]1C=C[C@@H](N)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86587
Phase Preclinical
Structure Type MOL
InChI Key INPYDNOQRCNLPS-NWDGAFQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
1.01
ALogP
3
HBA
3
HBD
50.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H25N3
MW 211.35
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
11141084 10.1021/jm000084m Trypanosoma brucei 2

Data from ChEMBL 36 via Core Engine