| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 34 | Yes |
Popular Name: NVP-AUY922 NVP-AUY922
Find On: PubMed — Wikipedia — Google
CAS Numbers: 747412-49-3 , [747412-49-3]
5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide
Luminespib (AUY-922, NVP-AUY922)
NVP-AUY922; NVP-AUY922-NX; VER-52296; 1051919-26-6
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.19 | 3.42 | -10.61 | 3 | 8 | 0 | 108 | 465.55 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 8.59 | -100.96 | 3 | 8 | 0 | 112 | 465.55 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 8.57 | -101.19 | 3 | 8 | 0 | 112 | 465.55 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.19 | 5.68 | -44.42 | 4 | 8 | 1 | 109 | 466.558 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 8.01 | -74.6 | 3 | 8 | 0 | 112 | 465.55 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | HSP | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENPL-1-E | Heat Shock Protein 90 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 85 | 0.29 | Binding ≤ 10μM |
| HS90A-1-E | Heat Shock Protein HSP 90-alpha (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9 | 0.33 | Binding ≤ 10μM |
| HS90B-2-E | Heat Shock Protein HSP 90-beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8 | 0.33 | Binding ≤ 10μM |
| TRAP1-1-E | Heat Shock Protein 75 KDa, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 535 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENPL_HUMAN | P14625 | Endoplasmin, Human | 85 | 0.29 | Binding ≤ 1μM |
| TRAP1_HUMAN | Q12931 | Heat Shock Protein 75 KDa, Mitochondrial, Human | 535 | 0.26 | Binding ≤ 1μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 7.8 | 0.33 | Binding ≤ 1μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 0.1 | 0.41 | Binding ≤ 1μM |
| ENPL_HUMAN | P14625 | Endoplasmin, Human | 85 | 0.29 | Binding ≤ 10μM |
| TRAP1_HUMAN | Q12931 | Heat Shock Protein 75 KDa, Mitochondrial, Human | 535 | 0.26 | Binding ≤ 10μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 7.8 | 0.33 | Binding ≤ 10μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 0.1 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ATF6-alpha activates chaperone genes | |
| Attenuation phase | |
| eNOS activation | |
| EPHA-mediated growth cone collapse | |
| HSF1 activation | |
| HSF1-dependent transactivation | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Scavenging by Class A Receptors | |
| Scavenging by Class F Receptors | |
| Sema3A PAK dependent Axon repulsion | |
| Signaling by constitutively active EGFR | |
| Signaling by ERBB2 | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| The NLRP3 inflammasome | |
| Trafficking and processing of endosomal TLR | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability | |
| vRNP Assembly |
