UCSF

ZINC03938683

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 26 No

Popular Name: PD 0325901 PD 0325901

Find On: PubMed — Wikipedia — Google

CAS Numbers: 301210-10-9 , 391210-10-9 , 391210-10-9; 870474-62-7 , [391210-10-9]

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) 3.16 -3.23 -22.12 4 6 0 90 482.196 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.13e-02 g/l DrugBank-experimental
Purity 95% Matrix Scientific
Indications antineoplastic KeyOrganics Bioactives
Warnings IRRITANT Matrix Scientific
Target MEK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MP2K1-1-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 31 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 0.4 0.51 Binding ≤ 1μM
MP2K1_HUMAN Q02750 Dual Specificity Mitogen-activated Protein Kinase Kinase 1, Human 0.4 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ERK1 activation
Interleukin-1 signaling
MEK activation
RAF phosphorylates MEK
Signal transduction by L1
Signaling by FGFR
Uptake and function of anthrax toxins

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