UCSF

ZINC40880920

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 Yes

Popular Name: 4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline 4-(6-(4-(piperazin-1-yl)phenyl)p…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1062368-24-4 , 1435934-00-1 , N.A. , [1062368-24-4] , [1062368-62-0]

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) 3.87 10.92 -53.68 2 6 1 63 407.501 3 ↓
Hi High (pH 8-9.5) 3.87 9.62 -11.79 1 6 0 58 406.493 3 ↓

Vendor Notes

Note Type Comments Provided By
Target TGF-beta/Smad Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BMP4-1-E Bone Morphogenetic Protein 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BMP4_HUMAN P12644 Bone Morphogenetic Protein 4, Human 4.9 0.38 Binding ≤ 1μM
BMP4_HUMAN P12644 Bone Morphogenetic Protein 4, Human 4.9 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Molecules associated with elastic fibres

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

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