UCSF

ZINC08035017

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 21 No

Popular Name: PALMIDROL PALMIDROL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1159908-45-8 , 544-31-0 , 946524-34-1

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) 6.29 -2.08 -8.49 2 3 0 49 299.499 16 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALDCA_DANRE; AOF_DANRE; AOF_ONCMY; FAAH1_CAEEL; GLNA1_PEA; GLNA2_PEA; GLNA3_PEA; GLNA4_PEA; HTF1_PERAM; HTF2_PERAM; IFR_PEA; MGLL_YEAST; NAAA_HUMAN; NAAA_MOUSE; NAAA_RAT; OBE1_ARATH; OBE2_ARATH; PEA15_CRIGR; PEA15_HUMAN; PEA15_MOUSE; PEA15_PONAB; PEA15_RA ChEBI
therap antiinflammatory MicroSource World Drugs

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-6-E Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic Eukaryotes 5012 0.35 Binding ≤ 10μM
Z50425-6-O Plasmodium Falciparum (cluster #6 Of 22), Other Other 501 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_RAT P97612 Anandamide Amidohydrolase, Rat 5011.87234 0.35 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3162.27766 0.37 Functional ≤ 10μM

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