UCSF

ZINC36294566

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 No

Popular Name: IDFP IDFP

Find On: PubMed — Wikipedia — Google

CAS Number: 615250-02-7

Other Names:

LS-192335

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) 5.93 11.42 -6.16 0 2 0 26 294.391 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-4-E Acetylcholinesterase (cluster #4 Of 12), Eukaryotic Eukaryotes 6300 0.38 Binding ≤ 10μM
CNR1-2-E Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic Eukaryotes 500 0.46 Binding ≤ 10μM
FAAH1-3-E Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic Eukaryotes 3 0.63 Binding ≤ 10μM
MGLL-1-E Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic Eukaryotes 1 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FAAH1_MOUSE O08914 Anandamide Amidohydrolase, Mouse 3 0.63 Binding ≤ 1μM
CNR1_MOUSE P47746 Cannabinoid CB1 Receptor, Mouse 1.8 0.64 Binding ≤ 1μM
CNR1_RAT P20272 Cannabinoid CB1 Receptor, Rat 2.5 0.63 Binding ≤ 1μM
MGLL_MOUSE O35678 Monoglyceride Lipase, Mouse 0.8 0.67 Binding ≤ 1μM
ACES_MOUSE P21836 Acetylcholinesterase, Mouse 6300 0.38 Binding ≤ 10μM
FAAH1_MOUSE O08914 Anandamide Amidohydrolase, Mouse 3 0.63 Binding ≤ 10μM
CNR1_RAT P20272 Cannabinoid CB1 Receptor, Rat 2.5 0.63 Binding ≤ 10μM
CNR1_MOUSE P47746 Cannabinoid CB1 Receptor, Mouse 1.8 0.64 Binding ≤ 10μM
MGLL_MOUSE O35678 Monoglyceride Lipase, Mouse 0.8 0.67 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acyl chain remodeling of DAG and TAG
Arachidonate production from DAG
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC

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

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