UCSF

ZINC49841054

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 52 No

Popular Name: Carfilzomib Carfilzomib

Find On: PubMed — Wikipedia — Google

CAS Number: 868540-17-4

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.94 9.32 -14.74 4 12 0 158 719.924 20 ↓
Lo Low (pH 4.5-6) 3.94 12.61 -46.9 5 12 1 160 720.932 20 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.84e-03 g/l DrugBank-approved

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PSB8-1-E Proteasome Subunit Beta Type-8 (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PSB8_HUMAN P28062 Proteasome Subunit Beta Type-8, Human 14 0.21 Binding ≤ 1μM
PSB8_HUMAN P28062 Proteasome Subunit Beta Type-8, Human 14 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of NF-kappaB in B cells
Antigen processing: Ubiquitination & Proteasome degradation
APC/C:Cdc20 mediated degradation of Securin
APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins
Asymmetric localization of PCP proteins
AUF1 (hnRNP D0) destabilizes mRNA
Autodegradation of Cdh1 by Cdh1:APC/C
Autodegradation of the E3 ubiquitin ligase COP1
CDK-mediated phosphorylation and removal of Cdc6
CDT1 association with the CDC6:ORC:origin complex
Cross-presentation of soluble exogenous antigens (endosomes)
degradation of AXIN
Degradation of beta-catenin by the destruction complex
degradation of DVL
ER-Phagosome pathway
Hedgehog ligand biogenesis
Hh ligand biogenesis disease
Interferon alpha/beta signaling
Orc1 removal from chromatin
Regulation of activated PAK-2p34 by proteasome mediated degradation
Regulation of ornithine decarboxylase (ODC)
SCF(Skp2)-mediated degradation of p27/p21
SCF-beta-TrCP mediated degradation of Emi1
Separation of Sister Chromatids
Ubiquitin Mediated Degradation of Phosphorylated Cdc25A
Ubiquitin-dependent degradation of Cyclin D1
Vif-mediated degradation of APOBEC3G
Vpu mediated degradation of CD4

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.