UCSF

ZINC02035934

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 28 No

Popular Name: 2,4-Imidazolidinedione, 3-(4-(diethylamino)-2-butynyl)-5,5-diphenyl-, monohydrochloride; 3-(4-(Diethylamino)-2-butynyl)-5,5-diphenylhydantoin hydrochloride; Hydantoin, 3-(4-(diethylamino)-2-butynyl)-5,5-diphenyl-, hydrochloride; LS-76083 2,4-Imidazolidinedione, 3-(4-(di…

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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) 3.80 11.96 -38.24 2 5 1 54 376.48 6 ↓
Mid Mid (pH 6-8) 3.80 9.61 -11.2 1 5 0 53 375.472 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-2-E Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic Eukaryotes 380 0.32 Binding ≤ 10μM
ACM2-3-E Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic Eukaryotes 950 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM1_RAT P08482 Muscarinic Acetylcholine Receptor M1, Rat 380 0.32 Binding ≤ 1μM
ACM2_RAT P10980 Muscarinic Acetylcholine Receptor M2, Rat 950 0.30 Binding ≤ 1μM
ACM1_RAT P08482 Muscarinic Acetylcholine Receptor M1, Rat 380 0.32 Binding ≤ 10μM
ACM2_RAT P10980 Muscarinic Acetylcholine Receptor M2, Rat 950 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
Muscarinic acetylcholine receptors

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