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Compound Detail

CHEMBL3787216

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O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787216
Phase Preclinical
Structure Type MOL
InChI Key HMBAEAQKWTXBHE-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.39
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O4
MW 363.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
26854747 10.1021/acs.jmedchem.5b01898 Receptor-interacting serine/threonine-protein kinase 1 2
28151659 10.1021/acs.jmedchem.6b01751 Receptor-interacting serine/threonine-protein kinase 1 2

Data from ChEMBL 36 via Core Engine