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Compound Detail

CHEMBL4162039

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O=C(NCCCCCNC(=O)c1ccc[nH]1)c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162039
Phase Preclinical
Structure Type MOL
InChI Key PIFVUABPAUPHCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
1.67
ALogP
2
HBA
4
HBD
89.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O2
MW 288.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
29297684 10.1021/acs.jnatprod.7b00876 Leishmania infantum 1
29297684 10.1021/acs.jnatprod.7b00876 Leishmania amazonensis 1
29297684 10.1021/acs.jnatprod.7b00876 Trypanosoma cruzi 1
29297684 10.1021/acs.jnatprod.7b00876 Plasmodium falciparum 1
29297684 10.1021/acs.jnatprod.7b00876 HepG2 1
29297684 10.1021/acs.jnatprod.7b00876 Unchecked 1
29297684 10.1021/acs.jnatprod.7b00876 BMDM 1

Data from ChEMBL 36 via Core Engine