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Compound Detail

CHEMBL4556613

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CCCCCCCCCCCCCCCC(=O)n1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556613
Phase Preclinical
Structure Type MOL
InChI Key RCCSGMDOOXDGQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.1
MW (Da)
8.25
ALogP
5
HBA
0
HBD
56.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H40ClN3O2
MW 498.11
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
32134652 10.1021/acs.jmedchem.9b01967 Autotaxin 1

Data from ChEMBL 36 via Core Engine