UCSF

ZINC00522351

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 Yes

Popular Name: 3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide 3-amino-5,6,7,8,9,10-hexahydrocy…

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CAS Number: 165066-43-3

Other Names:

MFCD00712400

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) 2.88 2.71 -31.9 5 4 1 83 276.385 1 ↓
Mid Mid (pH 6-8) 2.88 2.3 -9.08 4 4 0 82 275.377 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EF2K-1-E Serine/threonine-protein Kinase EEF2K (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EF2K_HUMAN O00418 Serine/threonine-protein Kinase EEF2K, Human 2500 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
S6K1 signalling

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

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