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Compound Detail

CHEMBL3920101

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CC(C)(C)OC(=O)NCCCCNC(=O)COn1nnc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3920101
Phase Preclinical
Structure Type MOL
InChI Key GRWOEVMIBGUWAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
1.28
ALogP
7
HBA
2
HBD
107.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N5O4
MW 363.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
27793448 10.1016/j.bmc.2016.10.013 NON-PROTEIN TARGET 3
27793448 10.1016/j.bmc.2016.10.013 Mus musculus 1

Data from ChEMBL 36 via Core Engine