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Compound Detail

CHEMBL4749916

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CCn1cc(C(=O)N/N=C(\C)c2ccc(OC)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749916
Phase Preclinical
Structure Type MOL
InChI Key FHQGIWJRKRAKFQ-NDZAJKAJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.7
MW (Da)
4.78
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5O3S
MW 517.66
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -2.10

Literature References

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

Data from ChEMBL 36 via Core Engine