UCSF

ZINC00614420

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Popular Name: 3-amino-N-isopropyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxamide 3-amino-N-isopropyl-4,6-dimethyl…

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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) 2.34 -3.13 -9.49 3 4 0 68 263.366 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM4-1-E Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic Eukaryotes 6000 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM4_RAT P08485 Muscarinic Acetylcholine Receptor M4, Rat 6000 0.41 Binding ≤ 10μM

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