UCSF

ZINC01536777

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 21 No

Popular Name: NOR-701 NOR-701

Find On: PubMed — Wikipedia — Google

CAS Number: 114560-48-4

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) 0.06 -5.23 -15 2 6 0 82 288.303 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 124 0.46 Functional ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 59 0.48 Functional ≤ 10μM
Z80695-1-O BE (Colon Adenocarcinoma Cells) (cluster #1 Of 2), Other Other 600 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80682 Z80682 A549 (Lung Carcinoma Cells) 59 0.48 Functional ≤ 10μM
Z80695 Z80695 BE (Colon Adenocarcinoma Cells) 1250 0.39 Functional ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 124 0.46 Functional ≤ 10μM

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