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Compound Detail

CHEMBL4202579

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CCN(CC)CCCNc1ccnc2c1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4202579
Phase Preclinical
Structure Type MOL
InChI Key INXYWILXKUVOFP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
3.10
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27N3
MW 261.41
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
30034591 10.1021/acsmedchemlett.8b00053 Unchecked 2
30034591 10.1021/acsmedchemlett.8b00053 Leishmania tropica 1
30034591 10.1021/acsmedchemlett.8b00053 Leishmania infantum 1
30034591 10.1021/acsmedchemlett.8b00053 THP-1 1

Data from ChEMBL 36 via Core Engine