UCSF

ZINC03796262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 33 Yes

Popular Name: OPC-21268 OPC-21268

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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) 1.66 -1.73 -21.51 1 7 0 78 449.551 7 ↓

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 230 0.28 Binding ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 350 0.27 Binding ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 440 0.27 Functional ≤ 10μM
V1BR-1-E Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_RAT P70536 Oxytocin Receptor, Rat 230 0.28 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 170 0.29 Binding ≤ 1μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 350 0.27 Binding ≤ 1μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 23.5 0.32 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 170 0.29 Binding ≤ 10μM
OXYR_RAT P70536 Oxytocin Receptor, Rat 230 0.28 Binding ≤ 10μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 350 0.27 Binding ≤ 10μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 23.5 0.32 Binding ≤ 10μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 440 0.27 Functional ≤ 10μM
V1BR_HUMAN P47901 Vasopressin V1b Receptor, Human 440 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Vasopressin-like receptors

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

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