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Compound Detail

CHEMBL4102668

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NCCCC(=O)NCC(=O)Nc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102668
Phase Preclinical
Structure Type MOL
InChI Key CXEBAZHUNWJVII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
0.36
ALogP
4
HBA
4
HBD
112.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N5O2
MW 275.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
28274634 10.1016/j.bmcl.2017.02.061 Internal ribosome entry site (IRES) 6

Data from ChEMBL 36 via Core Engine