UCSF

ZINC03841590

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2005 30 Yes

Popular Name: IC-87114 IC-87114

Find On: PubMed — Wikipedia — Google

CAS Numbers: 371242-69-2 , [371242-69-2]

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) 3.41 12.77 -16.01 2 8 0 105 397.442 3 ↓

Vendor Notes

Note Type Comments Provided By
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PK3CD-2-E PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 20 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PK3CD_HUMAN O00329 PI3-kinase P110-delta Subunit, Human 130 0.32 Binding ≤ 1μM
PK3CD_HUMAN O00329 PI3-kinase P110-delta Subunit, Human 130 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
Constitutive PI3K/AKT Signaling in Cancer
Interleukin receptor SHC signaling
Interleukin-3, 5 and GM-CSF signaling
PIP3 activates AKT signaling
Regulation of signaling by CBL
Synthesis of PIPs at the plasma membrane

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

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