UCSF

ZINC08764182

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 22 Yes

Popular Name: 5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol 5,7-Diphenyl-7H-pyrrolo[2,3-d]py…

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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) 3.07 10.98 -15.66 1 4 0 51 287.322 2 ↓
Hi High (pH 8-9.5) 3.52 8.95 -53.83 0 4 -1 54 286.314 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 10000 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 10000 0.32 Binding ≤ 10μM
SRC_CHICK P00523 Tyrosine-protein Kinase SRC, Chick 10000 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ADP signalling through P2Y purinoceptor 1
c-src mediated regulation of Cx43 function and closure of gap junctions
CD28 co-stimulation
CTLA4 inhibitory signaling
DCC mediated attractive signaling
Downstream signal transduction
DSCAM interactions
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Ephrin signaling
GAB1 signalosome
GP1b-IX-V activation signalling
GRB2:SOS provides linkage to MAPK signaling for Integrins
Integrin alphaIIb beta3 signaling
NCAM signaling for neurite out-growth
Netrin mediated repulsion signals
p130Cas linkage to MAPK signaling for integrins
p38MAPK events
Regulation of KIT signaling
Signal regulatory protein (SIRP) family interactions
Signaling by EGFR
Signaling by ERBB2
Signaling by SCF-KIT
Thrombin signalling through proteinase activated receptors (PARs)
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation

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