UCSF

ZINC00968340

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 Yes

Popular Name: Phenindamine Phenindamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 569-59-5 , 82-88-2

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) 3.65 2.06 -37.41 1 1 1 4 262.376 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.77e-02 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0180597A1; EP0180597B1; EP0241615A1; EP0241615B1; EP0267051A2; EP0267051B1; EP0295212A2; EP0351897A2; EP0530311A1; EP0584108B1; EP0591346A1; EP0599943A1; EP0602112A1; EP0608320A1; EP0608320B1; EP0608322A1; EP0608322B1; EP0652774A1; EP0652774B1; EP074156 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 36 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH1_CAVPO P31389 Histamine H1 Receptor, Guinea Pig 36 0.52 Functional ≤ 10μM

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

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