UCSF

ZINC06906033

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 32 No

Popular Name: 4-hydroxy-3,5-dimethoxybenzaldehyde [4,6-di(1-piperidinyl)-1,3,5-triazin-2-yl]hydrazone 4-hydroxy-3,5-dimethoxybenzaldeh…

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Other Names:

MFCD00648193

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) 4.01 -5.76 -13.43 2 10 0 108 441.536 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTOR-3-E Serine/threonine-protein Kinase MTOR (cluster #3 Of 3), Eukaryotic Eukaryotes 5900 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 5900 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CD28 dependent PI3K/Akt signaling
Constitutive PI3K/AKT Signaling in Cancer
HSF1-dependent transactivation
mTOR signalling
PIP3 activates AKT signaling
Release of eIF4E
S6K1-mediated signalling
VEGFR2 mediated vascular permeability

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