Contilistat
HDAC1 IC50 = 0.377 microM; HDAC6 IC50 = 0.095 microM; eqBuChE IC50 = 3.148 microM; 5-HT6R Ki = 8.639 microM; H3R Ki = 0.042 microM
General
Type : Multitarget, Histamine-Receptor3-H3-Antagonist, Monoamine-oxidase-inhibitor, Piperidine, Indole, HDAC inhibitor, Alkyne, Sulfur Compound, Sigma1R
Chemical_Nomenclature : N'-[[1-(benzenesulfonyl)-5-(3-piperidin-1-ylpropoxy)indol-2-yl]methyl]-N-hydroxy-N'-prop-2-ynyloctanediamide
Canonical SMILES : C1(=CC=C2C(=C1)C=C([N]2[S](=O)(=O)C3=CC=CC=C3)CN(CC#C)C(CCCCCCC(NO)=O)=O)OCCCN4CCCCC4 || C#CCN(CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)OCCCN4CCCCC4)C(=O)CCCCCCC(=O)NO
InChI : InChI=1S\/C34H44N4O6S\/c1-2-20-37(34(40)17-10-4-3-9-16-33(39)35-41)27-29-25-28-26-30(44-24-13-23-36-21-11-6-12-22-36)18-19-32(28)38(29)45(42,43)31-14-7-5-8-15-31\/h1,5,7-8,14-15,18-19,25-26,41H,3-4,6,9-13,16-17,20-24,27H2,(H,35,39)\
InChIKey : CHNLUTGNKOZGEG-UHFFFAOYSA-N
Other name(s) : N1-Hydroxy-N8-((1-(phenylsulfonyl)-5-(3-(piperidin-1-yl)propoxy)-1H-indol-2-yl)methyl)-N8-(prop-2-yn-1-yl)octanediamide || DDI199
MW : 636.80
Formula : C34H44N4O6S
CAS_number :
PubChem : 172378299
UniChem : CHNLUTGNKOZGEG-UHFFFAOYSA-N
Target
References (2)
| Title : Generation and validation of a novel multitarget small molecule in glioblastoma - Artetxe-Zurutuza_2025_Cell.Death.Dis_16_250 |
| Author(s) : Artetxe-Zurutuza A , Iturrioz-Rodriguez N , Elizazu J , Toledano-Pinedo M , Porro-Perez A , De Goni I , Elua-Pinin A , Schaker-Hubner L , Azkargorta M , Elortza F , Iriepa I , Lopez-Munoz F , Moncho-Amor V , Hansen FK , Sampron N , Marco-Contelles JL , Matheu A |
| Ref : Cell Death Dis , 16 :250 , 2025 |
| Abstract : |
| PubMedSearch : Artetxe-Zurutuza_2025_Cell.Death.Dis_16_250 |
| PubMedID: 40185715 |
| Title : Contilistat, a new polyfunctionalized histone deacetylase inhibitor, showing potential capacity to inhibit cholinesterase\/monoamine oxidase enzymes, and modulate histamine 3, sigma 1, 5-HT6 and dopamine 3 receptors for the treatment of cancer and neurodegenerative diseases - Diez-Iriepa_2023_Chemrxiv__ |
| Author(s) : Diez-Iriepa D , Toledano-Pinedo M , Porro A , Almendros P , Rodriguez-Fernandez, MM , Samadi A , Iriepa I , Lopez-Munoz F , Artetxe-Zurutuza A , Matheu A , Marco-Contelles J |
| Ref : Chemrxiv , : , 2023 |
| Abstract : |
| PubMedSearch : Diez-Iriepa_2023_Chemrxiv__ |
| PubMedID: |