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Compound Detail

CHEMBL3134040

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O=C1NC(=O)/C(=C\c2ccc(C3CCCCC3)cc2)C2=C1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3134040
Phase Preclinical
Structure Type MOL
InChI Key HOIJCRGEDVQJSN-ZHZULCJRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
4.64
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO2
MW 335.45
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.07

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00149K No relevant target 1

Data from ChEMBL 36 via Core Engine