UCSF

ZINC03986294

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 30 No

Popular Name: CCN(c1ccccc1)NC(=O)c2c3ccccc3nc(c2OC)c4ccccc4 CCN(c1ccccc1)NC(=O)c2c3ccccc3nc(…

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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) 5.32 -0.05 -10.95 1 5 0 54 397.478 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NK3R-1-E Neurokinin 3 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NK3R_HUMAN P29371 Neurokinin 3 Receptor, Human 16 0.36 Binding ≤ 1μM
NK3R_HUMAN P29371 Neurokinin 3 Receptor, Human 16 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Tachykinin receptors bind tachykinins

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