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Compound Detail

CHEMBL1779157

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c1ccc2c(CCN(CC3CCCCC3)CC3CCCCC3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779157
Phase Preclinical
Structure Type MOL
InChI Key YZOCXRCCRVUPNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.6
MW (Da)
6.17
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N2
MW 352.57
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
21524588 10.1016/j.bmc.2011.04.004 Unchecked 1
21524588 10.1016/j.bmc.2011.04.004 Hepatitis B virus 1
21524588 10.1016/j.bmc.2011.04.004 ADMET 1

Data from ChEMBL 36 via Core Engine