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Compound Detail

CHEMBL4744993

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CCn1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744993
Phase Preclinical
Structure Type MOL
InChI Key FZQMZZJJIFQUHL-WCMJOSRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.7
MW (Da)
5.24
ALogP
8
HBA
2
HBD
92.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H29N5O3S
MW 539.66
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
33032188 10.1016/j.bmc.2020.115795 Autotaxin 1

Data from ChEMBL 36 via Core Engine