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Compound Detail

CHEMBL3974359

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O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(c2nc3nc(Cl)ccc3[nH]2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3974359
Phase Preclinical
Structure Type MOL
InChI Key SWACRBVMHJMCAM-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.7
MW (Da)
4.77
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl3N5O
MW 424.72
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.83

Literature References

PubMed DOI Target Context # Activities
27788467 10.1016/j.ejmech.2016.10.024 Unchecked 2
27788467 10.1016/j.ejmech.2016.10.024 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine