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Compound Detail

CHEMBL472315

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Cc1cc2c(c(=O)o1)C=C1CC[C@H](C(C)Cn3ccc(N)nc3=O)C[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472315
Phase Preclinical
Structure Type MOL
InChI Key SWWBXYKFLWTTDR-DKGPUHFJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.37
ALogP
7
HBA
1
HBD
100.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O4
MW 369.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.89

Literature References

PubMed DOI Target Context # Activities
19121940 10.1016/j.bmcl.2008.12.060 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine