UCSF

ZINC00602283

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 28 Yes

Popular Name: 3-(6-(Dimethylamino)-4-methylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine 3-(6-(Dimethylamino)-4-methylpyr…

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CAS Numbers: 195055-03-9 , 195055-66-4 , [195055-03-9]

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) 4.69 0.69 -28.81 1 6 1 50 381.548 7 ↓

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 4 0.42 Binding ≤ 10μM
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.37 Functional ≤ 10μM
Z80088-1-O CHO (Ovarian Cells) (cluster #1 Of 4), Other Other 50 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 28.1838293 0.38 Binding ≤ 1μM
CRFR1_RAT P35353 Corticotropin Releasing Factor Receptor 1, Rat 3.8 0.42 Binding ≤ 1μM
CRFR1_RAT P35353 Corticotropin Releasing Factor Receptor 1, Rat 3.8 0.42 Binding ≤ 10μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 28.1838293 0.38 Binding ≤ 10μM
Z80088 Z80088 CHO (Ovarian Cells) 50 0.37 Functional ≤ 10μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 3 0.43 Functional ≤ 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% )

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