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Compound Detail

CHEMBL1710228

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O=C(Nc1ccc(Cl)cc1)c1ccc(CCN2CCc3ccccc3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1710228
Phase Preclinical
Structure Type MOL
InChI Key PFWKCRBPHMRNAX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

390.9
MW (Da)
5.19
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClN2O
MW 390.91
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
22003428 10.1021/ml200158b Nucleotide-binding oligomerization domain-containing protein 1 1
22003428 10.1021/ml200158b Nucleotide-binding oligomerization domain-containing protein 2 1
22003428 10.1021/ml200158b Unchecked 1
22003428 10.1021/ml200158b HEK-293T 1

Data from ChEMBL 36 via Core Engine