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Compound Detail

CHEMBL1762617

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COC(=O)C1=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C)CC[C@H]2C(C)(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762617
Phase Preclinical
Structure Type MOL
InChI Key LUHMCQPPRUOXQY-JHVJFLLYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
3.08
ALogP
5
HBA
0
HBD
84.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO4
MW 353.42
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.38

Literature References

PubMed DOI Target Context # Activities
21361338 10.1021/jm101445p NON-PROTEIN TARGET 1
21361338 10.1021/jm101445p ADMET 1

Data from ChEMBL 36 via Core Engine