UCSF

ZINC06199057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 37 No

Popular Name: L-368899 L-368899

Find On: PubMed — Wikipedia — Google

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) 1.47 -10.65 -71.78 4 9 1 131 555.787 9 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0532097A1; EP0533240A2; EP0533240A3; EP0533241A2; EP0533241A3; EP0533242A2; EP0533242A3; EP0708765A1; EP0755374A1; EP0755374B1; EP0783306A1; US5502165; US5599809; US5648352; US5686454; US5773575; WO1995002587A1; WO1996012476A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-1-E Oxytocin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.30 Binding ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.24 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 570 0.24 Binding ≤ 10μM
OXYR-2-E Oxytocin Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 8 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_RAT P70536 Oxytocin Receptor, Rat 8.9 0.30 Binding ≤ 1μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 370 0.24 Binding ≤ 1μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 570 0.24 Binding ≤ 1μM
OXYR_RAT P70536 Oxytocin Receptor, Rat 8.9 0.30 Binding ≤ 10μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 370 0.24 Binding ≤ 10μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 570 0.24 Binding ≤ 10μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 8 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Vasopressin regulates renal water homeostasis via Aquaporins
Vasopressin-like receptors

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