UCSF

ZINC12343593

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2008 18 Yes

Popular Name: 1-(1-adamantylcarbonyl)piperazine 1-(1-adamantylcarbonyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 29869-07-6 , 29869-08-7

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) 1.90 5.73 -52.25 2 3 1 37 249.378 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 309 - 311 Enamine Building Blocks
MP 309...311 Enamine Building Blocks
MP 53 - 55 Enamine Building Blocks
MP 53...55 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 8200 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DHI1_HUMAN P28845 11-beta-hydroxysteroid Dehydrogenase 1, Human 8200 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glucocorticoid biosynthesis

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