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Compound Detail

CHEMBL152055

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N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152055
Phase Preclinical
Structure Type MOL
InChI Key MECDCHFRZHLREI-WOJBJXKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.24
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2
MW 292.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
27173385 10.1016/j.ejmech.2016.04.058 Plasmodium falciparum 11
27173385 10.1016/j.ejmech.2016.04.058 Unchecked 5
27173385 10.1016/j.ejmech.2016.04.058 Chloroquine resistance transporter 5
- 10.1016/S0960-894X(01)81197-5 Substance-P receptor 3
- 10.1016/S0960-894X(01)81197-5 Substance-K receptor 1
- 10.1016/S0960-894X(01)81197-5 Neuromedin-K receptor 1

Data from ChEMBL 36 via Core Engine