UCSF

ZINC45260367

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 33 Yes

Popular Name: GPP 78 GPP 78

Find On: PubMed — Wikipedia — Google

CAS Number: 1202580-59-3

Other Names:

CAY10618

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) 5.57 13.67 -18.85 1 6 0 73 439.563 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NAMPT-1-E Nicotinamide Phosphoribosyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NAMPT_HUMAN P43490 Nicotinamide Phosphoribosyltransferase, Human 3 0.36 Binding ≤ 1μM
NAMPT_HUMAN P43490 Nicotinamide Phosphoribosyltransferase, Human 3 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Nicotinamide salvaging

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

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