UCSF

ZINC01539136

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 28 Yes

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) 6.25 17.13 -20.55 1 4 1 35 379.572 6
Mid Mid (pH 6-8) 6.25 16.71 -9.3 0 4 0 34 378.564 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.43 Binding ≤ 10μM
CRFR2-1-E Corticotropin Releasing Factor Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_RAT P35353 Corticotropin Releasing Factor Receptor 1, Rat 1 0.45 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 0.84 0.45 Binding ≤ 1μM
CRFR2_RAT P47866 Corticotropin Releasing Factor Receptor 2, Rat 1 0.45 Binding ≤ 1μM
CRFR1_RAT P35353 Corticotropin Releasing Factor Receptor 1, Rat 1 0.45 Binding ≤ 10μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 0.84 0.45 Binding ≤ 10μM
CRFR2_RAT P47866 Corticotropin Releasing Factor Receptor 2, Rat 1 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class B/2 (Secretin family receptors)
G alpha (s) signalling events

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