UCSF

ZINC00002131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 Yes

Popular Name: Tenocyclidine Tenocyclidine

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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) 4.72 9.56 -26.14 1 1 1 4 250.431 2 ↓
Hi High (pH 8-9.5) 4.72 8.25 -1.2 0 1 0 3 249.423 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.13e-02 g/l DrugBank-experimental
UniProt Database Links CYCLD_ANTMA; CYCLD_ANTMH; CYCLD_ANTML; CYSP_PLAFA; DHAA_RHOSO; DICH_ANTMA; HFQ_VIBCH; MKKS_HUMAN; MKKS_MOUSE; MKKS_PONAB; PCF1_ORYSJ; PCF2_ORYSI; PCF2_ORYSJ; PCF3_ORYSJ; PCF5_ORYSI; PCF5_ORYSJ; PCF6_ORYSI; PCF6_ORYSJ; PCF7_ORYSI; PCF7_ORYSJ; PCF8_ORYSI; P ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PCP-1-E Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.63 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 240 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PCP_HUMAN P42785 Lysosomal Pro-X Carboxypeptidase, Human 20 0.63 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 240 0.55 Binding ≤ 1μM
PCP_HUMAN P42785 Lysosomal Pro-X Carboxypeptidase, Human 20 0.63 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 240 0.55 Binding ≤ 10μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 1100 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Intrinsic Pathway

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