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Compound Detail

CHEMBL3764529

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CCCN(CCCOc1ccc(C(=N)N)cc1)CCCOc1ccc(C(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764529
Phase Preclinical
Structure Type MOL
InChI Key URZMNNYAUGTHQA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
3.20
ALogP
5
HBA
4
HBD
121.4
PSA (Ų)
0.22
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33N5O2
MW 411.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.57

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26727270 10.1021/acs.jmedchem.5b01369 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine