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Compound Detail

CHEMBL4796910

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N#Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(Cl)cc3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796910
Phase Preclinical
Structure Type MOL
InChI Key AUCQMOMIVJRHLZ-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
4.63
ALogP
5
HBA
1
HBD
95.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClN5O2
MW 393.83
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.35

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