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Compound Detail

CHEMBL4779772

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O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccc(Br)cc2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779772
Phase Preclinical
Structure Type MOL
InChI Key OZQYFSWZDFEMOA-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.7
MW (Da)
5.52
ALogP
4
HBA
1
HBD
71.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16BrClN4O2
MW 447.72
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.09

Literature References

PubMed DOI Target Context # Activities
32018095 10.1016/j.ejmech.2020.112100 Haemonchus contortus 2
32018095 10.1016/j.ejmech.2020.112100 MCF-10A 2

Data from ChEMBL 36 via Core Engine