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Compound Detail

CHEMBL4563429

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CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3cccc(N)c3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4563429
Phase Preclinical
Structure Type MOL
InChI Key ZLABLJQZLRFQJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
1.62
ALogP
7
HBA
1
HBD
91.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O3
MW 326.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.73

Literature References

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

Data from ChEMBL 36 via Core Engine