UCSF

ZINC00400269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: 4-phenylpyrimidin-2-amine 4-phenylpyrimidin-2-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2305-87-5 , N/A , [2305-87-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.49 5.55 -7.24 2 3 0 52 171.203 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 162 - 164 Enamine Building Blocks
MP 162...164 Enamine Building Blocks
MP 164-166° Oakwood Chemical
MP 165-166 Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HS90A-2-E Heat Shock Protein HSP 90-alpha (cluster #2 Of 4), Eukaryotic Eukaryotes 290 0.70 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HS90A_HUMAN P07900 Heat Shock Protein HSP 90-alpha, Human 290 0.70 Binding ≤ 1μM
HS90A_HUMAN P07900 Heat Shock Protein HSP 90-alpha, Human 290 0.70 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Attenuation phase
eNOS activation
EPHA-mediated growth cone collapse
HSF1 activation
HSF1-dependent transactivation
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
Recruitment of mitotic centrosome proteins and complexes
Regulation of actin dynamics for phagocytic cup formation
Regulation of PLK1 Activity at G2/M Transition
Scavenging by Class F Receptors
Sema3A PAK dependent Axon repulsion
Signaling by constitutively active EGFR
Signaling by ERBB2
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
VEGFA-VEGFR2 Pathway
VEGFR2 mediated vascular permeability
vRNP Assembly

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