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Compound Detail

CHEMBL258922

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COc1ccc2c(C[C@@H]3NC(=O)[C@H](C(C)C)NC3=O)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258922
Phase Preclinical
Structure Type MOL
InChI Key ATNFNWAGDXJYLA-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.36
ALogP
3
HBA
3
HBD
83.2
PSA (Ų)
0.80
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 C17H21N3O3
MW 315.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
18321710 10.1016/j.bmc.2008.02.050 NON-PROTEIN TARGET 1
18321710 10.1016/j.bmc.2008.02.050 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine