UCSF

ZINC00093985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide 6-Chloro-2,3,4,9-tetrahydro-1H-c…

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CAS Numbers: 49843-98-3 , [49843-98-3] , [848193-68-0]

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) 2.51 -2.94 -10.27 3 3 0 58 248.713 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity >95% Fluorochem
Target Sirtuin Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SIRT1-1-E NAD-dependent Deacetylase Sirtuin 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 98 0.58 Binding ≤ 10μM
SIRT1-1-E NAD-dependent Deacetylase Sirtuin 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 160 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SIRT1_HUMAN Q96EB6 NAD-dependent Deacetylase Sirtuin 1, Human 123 0.57 Binding ≤ 1μM
SIRT1_HUMAN Q96EB6 NAD-dependent Deacetylase Sirtuin 1, Human 123 0.57 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Regulation of HSF1-mediated heat shock response
SIRT1 negatively regulates rRNA Expression

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

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