UCSF

ZINC38312374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 13 Yes

Popular Name: MK 0354 MK 0354

Find On: PubMed — Wikipedia — Google

CAS Number: 851776-28-8

Other Names:

DNC008666

MK-0354

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) 0.28 1.14 -37.79 1 6 -1 81 175.175 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCAR2-2-E HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic Eukaryotes 400 0.69 Binding ≤ 10μM
HCAR2-1-E HM74 Nicotinic Acid GPCR (cluster #1 Of 3), Eukaryotic Eukaryotes 1080 0.64 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCAR2_MOUSE Q9EP66 HM74 Nicotinic Acid GPCR, Mouse 400 0.69 Binding ≤ 1μM
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 505 0.68 Binding ≤ 1μM
HCAR2_MOUSE Q9EP66 HM74 Nicotinic Acid GPCR, Mouse 1200 0.64 Binding ≤ 10μM
HCAR2_RAT Q80Z39 HM74 Nicotinic Acid GPCR, Rat 2300 0.61 Binding ≤ 10μM
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 1500 0.63 Binding ≤ 10μM
HCAR2_MOUSE Q9EP66 HM74 Nicotinic Acid GPCR, Mouse 1080 0.64 Functional ≤ 10μM
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 1650 0.62 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Hydroxycarboxylic acid-binding receptors

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

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