UCSF

ZINC49590052

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 16 No

Popular Name: YM-175 YM-175

Find On: PubMed — Wikipedia — Google

Other Names:

DNC008433

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) -0.55 -0.44 -135.35 3 7 -2 140 271.146 4 ↓
Lo Low (pH 4.5-6) -0.55 -1.54 -52.66 4 7 -1 137 272.154 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPPS-1-E Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 62 0.63 Binding ≤ 10μM
Q0GKD7-1-E Farnesyl Pyrophosphate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 10 0.70 Binding ≤ 1μM
Q0GKD7_LEIDO Q0GKD7 Farnesyl Pyrophosphate Synthase, Leido 160 0.59 Binding ≤ 1μM
FPPS_HUMAN P14324 Farnesyl Diphosphate Synthase, Human 10 0.70 Binding ≤ 10μM
Q0GKD7_LEIDO Q0GKD7 Farnesyl Pyrophosphate Synthase, Leido 160 0.59 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis

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

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