UCSF

ZINC12468792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 31 Yes

Popular Name: Latanoprost Latanoprost

Find On: PubMed — Wikipedia — Google

CAS Numbers: 130209-82-4 , 130209-82-4 

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.48 8.46 -10.22 3 5 0 87 432.601 14 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.29e-02 g/l DrugBank-approved
Patent Database Links EP1532981; EP1541151; EP1547599; EP1611877; EP1681059; EP1681065; EP1759702; EP1795183; EP1859802; EP1916002; EP1932841; EP1985298; US2003018078; US2004029771; US2004054213; US2005176765; US2005227969; US2005239863; US2005256117; US2005272743; US200602000 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01328l NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01328l NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 98 0.32 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 98 0.32 Binding ≤ 1μM
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 98 0.32 Binding ≤ 10μM
PF2R_MOUSE P43117 Prostaglandin F2-alpha Receptor, Mouse 31.7 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Prostanoid ligand receptors

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