Compound 1476
Identifiers
- Canonical SMILES:
Cc1ccc2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c2c1
- IUPAC name:
1-(4-benzoylpiperazin-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione
- InChi:
InChI=1S/C22H21N3O3/c1-15-7-8-19-17(13-15)18(14-23-19)20(26)22(28)25-11-9-24(10-12-25)21(27)16-5-3-2-4-6-16/h2-8,13-14,23H,9-12H2,1H3
- InChiKey:
CNNGFFVUIQQOHY-UHFFFAOYSA-N
External links
![]() 506220 |
![]() CHEMBL494134 |
![]() 442051 |
External search
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Bibliography (1)
Pharmacological data
Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
---|---|---|---|
0 | 1 | 0 | 0 |
Targets
PPI family | Best activity | Diseases | MMoA |
---|---|---|---|
CD4 / gp120 | 5.81 | HIV infectious disease | Inhibition |
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 375.16 g/mol | |||
HBA | 6 | |||
HBD | 1 | |||
HBA + HBD | 7 | |||
AlogP | 2.67 | |||
TPSA | 73.48 | |||
RB | 3 |
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
Bibliographic ressources | Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
---|---|---|---|---|
1 | 0 | 1 | 0 | 0 |
Ta | Structure | Name | Drugbank ID |
---|---|---|---|
0.7500 | Talmapimod | DB05412 | |
0.6967 | LY-517717 | DB05713 | |
0.6637 | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | DB07952 | |
0.6441 | N-[1H-INDOL-3-YL-ACETYL]VALINE ACID | DB07953 | |
0.6387 | Indoramin | DB08950 | |
0.6328 | Pruvanserin | DB13094 | |
0.6058 | Indoleacetamide | DB08652 | |
0.6029 | Macimorelin | DB13074 | |
0.6018 | N-acetylserotonin | DB04275 | |
0.6014 | Indibulin | DB06169 | |
0.5985 | LTX-315 | DB12748 | |
0.5985 | Gramicidin D | DB00027 | |
0.5976 | BMS-488043 | DB05532 | |
0.5892 | N-(indole-3-acetyl)-L-aspartic acid | DB07951 | |
0.5865 | Diethyltryptamine | DB01460 |