UCSF

ZINC04207360

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 21 Yes

Popular Name: {[6-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-yl]thio}acetic acid {[6-(4-bromophenyl)thieno[3,2-d]…

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CAS Number: 848336-14-1

Other Names:

MFCD07329964

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) 3.99 -2.33 -45.86 0 4 -1 65 380.268 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 16 - 18 Enamine Building Blocks
MP 16...18 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
M3K8-1-E Mitogen-activated Protein Kinase Kinase Kinase 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
M3K8_HUMAN P41279 Mitogen-activated Protein Kinase Kinase Kinase 8, Human 4800 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CD28 dependent PI3K/Akt signaling
Interleukin-1 signaling

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

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