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Compound Detail

CHEMBL5439730

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O=C(c1ccc(NC2CCCC2)nc1)N1CCN(c2cnccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5439730
Phase Preclinical
Structure Type MOL
InChI Key OLMHEVSLZHVMPV-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.19
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N6O
MW 352.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.04

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
37156183 10.1016/j.ejmech.2023.115445 ADMET 2
37156183 10.1016/j.ejmech.2023.115445 Leishmania infantum 1
37156183 10.1016/j.ejmech.2023.115445 Leishmania braziliensis 1
37156183 10.1016/j.ejmech.2023.115445 THP-1 1

Data from ChEMBL 36 via Core Engine