UCSF

ZINC36151665

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 36 Yes

Popular Name: (2S)-2-(3,4-dimethoxyphenyl)-2-[(1S,3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]cyclohexyl]-3-m (2S)-2-(3,4-dimethoxyphenyl)-2-[…

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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) 5.55 13.77 -63.45 1 6 1 65 495.684 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1C-1-E Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.25 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 10000 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAC1C_HUMAN Q13936 Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human 260 0.26 Binding ≤ 1μM
CAC1C_HUMAN Q13936 Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human 260 0.26 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 10000 0.19 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline,noradrenaline inhibits insulin secretion
NCAM1 interactions
Regulation of insulin secretion

Rings

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