UCSF

ZINC35077985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 27 Yes

Popular Name: AZ 23 AZ 23

Find On: PubMed — Wikipedia — Google

CAS Number: 915720-21-7

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) 4.10 8.04 -9.7 3 8 0 101 391.838 7 ↓
Mid Mid (pH 6-8) 4.10 8.39 -41.41 4 8 1 102 392.846 7 ↓
Mid Mid (pH 6-8) 4.10 8.7 -29.42 4 8 1 102 392.846 7 ↓
Lo Low (pH 4.5-6) 4.10 9.07 -84.61 5 8 2 103 393.854 7 ↓
Lo Low (pH 4.5-6) 4.10 8.93 -38.24 4 8 1 102 392.846 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NTRK1-1-E Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 1 0.47 Binding ≤ 1μM
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 1 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ARMS-mediated activation
Frs2-mediated activation
NGF-independant TRKA activation
PI3K/AKT activation
PLC-gamma1 signalling
Retrograde neurotrophin signalling
Signalling to p38 via RIT and RIN
Signalling to RAS
Signalling to STAT3
TRKA activation by NGF

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

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