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Compound Detail

CHEMBL1472545

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Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1472545
Phase Preclinical
Structure Type MOL
InChI Key ZSQIQUAKDNTQOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.4
MW (Da)
4.10
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.80
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 C18H22N2
MW 266.39
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
23643898 10.1016/j.bmc.2013.04.012 Unchecked 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine