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Compound Detail

CHEMBL4640227

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

Basic Information

ChEMBL ID CHEMBL4640227
Phase Preclinical
Structure Type MOL
InChI Key DIPRJIUKHJCOBY-RWPZCVJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
4.39
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.28
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 C27H29N5O3S
MW 503.63
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -2.21

Literature References

PubMed DOI Target Context # Activities
32479084 10.1021/acs.jmedchem.0c00506 Autotaxin 1

Data from ChEMBL 36 via Core Engine