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Compound Detail

CHEMBL1779181

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CCN(CCc1c[nH]c2ccccc12)CCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779181
Phase Preclinical
Structure Type MOL
InChI Key UGOCOGWFUOEWOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
4.08
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N2
MW 258.41
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.66

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