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Compound Detail

CHEMBL5405766

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O=C(Nc1c2c(nn1-c1ccc(Br)cc1)COC2)c1cc(Cl)cc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405766
Phase Preclinical
Structure Type MOL
InChI Key DBSLHSMXLVSRAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.1
MW (Da)
5.22
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12BrCl2N3O2
MW 453.12
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
36702053 10.1016/j.ejmech.2023.115130 Autotaxin 1

Data from ChEMBL 36 via Core Engine