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Compound Detail

CHEMBL127996

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NC(=O)OCc1c2c(n3c1C1CC1C3)C(=O)C=C(N1CCCC1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127996
Phase Preclinical
Structure Type MOL
InChI Key KBHMHYRFYKBMIG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
1.56
ALogP
6
HBA
1
HBD
94.6
PSA (Ų)
0.90
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 C18H19N3O4
MW 341.37
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.63

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7966141 10.1021/jm00048a019 V79 3

Data from ChEMBL 36 via Core Engine