UCSF

ZINC13981024

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 17 Yes

Popular Name: 4-(1-Ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine 4-(1-Ethyl-1H-imidazo[4,5-c]pyri…

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CAS Numbers: 607368-87-6 , [607368-87-6]

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) 0.84 3.82 -6.45 2 7 0 96 230.231 2 ↓
Mid Mid (pH 6-8) 0.84 4.39 -29.54 3 7 1 97 231.239 2 ↓
Lo Low (pH 4.5-6) 0.84 4.1 -38.24 3 7 1 97 231.239 2 ↓
Lo Low (pH 4.5-6) 0.84 4.67 -99.41 4 7 2 98 232.247 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK2-1-E Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 169 0.56 Binding ≤ 10μM
DYR1A-1-E Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #1 Of 3), Eukaryotic Eukaryotes 110 0.57 Binding ≤ 10μM
KS6A5-1-E Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.70 Binding ≤ 10μM
KS6B1-1-E Ribosomal Protein S6 Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 70 0.59 Binding ≤ 10μM
ROCK1-1-E Rho-associated Protein Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 19 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 169 0.56 Binding ≤ 1μM
DYR1A_HUMAN Q13627 Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human 110 0.57 Binding ≤ 1μM
ROCK1_HUMAN Q13464 Rho-associated Protein Kinase 1, Human 13 0.65 Binding ≤ 1μM
KS6B1_HUMAN P23443 Ribosomal Protein S6 Kinase 1, Human 70 0.59 Binding ≤ 1μM
KS6A5_HUMAN O75582 Ribosomal Protein S6 Kinase Alpha 5, Human 3 0.70 Binding ≤ 1μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 169 0.56 Binding ≤ 10μM
DYR1A_HUMAN Q13627 Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human 110 0.57 Binding ≤ 10μM
ROCK1_HUMAN Q13464 Rho-associated Protein Kinase 1, Human 13 0.65 Binding ≤ 10μM
KS6B1_HUMAN P23443 Ribosomal Protein S6 Kinase 1, Human 70 0.59 Binding ≤ 10μM
KS6A5_HUMAN O75582 Ribosomal Protein S6 Kinase Alpha 5, Human 3 0.70 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of ATR in response to replication stress
Activation of the pre-replicative complex
Apoptotic cleavage of cellular proteins
CDK-mediated phosphorylation and removal of Cdc6
CREB phosphorylation
Cyclin A/B1 associated events during G2/M transition
Cyclin A:Cdk2-associated events at S phase entry
Cyclin E associated events during G1/S transition
DNA Damage/Telomere Stress Induced Senescence
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
ERK/MAPK targets
Factors involved in megakaryocyte development and platelet production
G alpha (12/13) signalling events
G0 and Early G1
G2 Phase
Meiotic recombination
NCAM signaling for neurite out-growth
Orc1 removal from chromatin
p53-Dependent G1 DNA Damage Response
Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2
Recycling pathway of L1
Regulation of APC/C activators between G1/S and early anaphase
S6K1 signalling
S6K1-mediated signalling
SCF(Skp2)-mediated degradation of p27/p21
Sema4D induced cell migration and growth-cone collapse
Senescence-Associated Secretory Phenotype (SASP)
VEGFA-VEGFR2 Pathway

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

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