UCSF

ZINC00403567

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: ENPROFYLLINE ENPROFYLLINE

Find On: PubMed — Wikipedia — Google

CAS Number: 41078-02-8

Other Names:

fylline

1H-Purine-2,6-dione, 3,7-dihydro-3-propyl-

1H-Purine-2,6-dione, 3,7-dihydro-3-propyl-; 3,7-Dihydro-3-propyl-1H-purine-2,6-dione; 3-Propylxanthine; C8H10N4O2; D-4028; EINECS 255-201-8; Enprofilina [INN-Spanish]; Enprofylline; Enprofylline [USAN:INN]; Enprofyllinum [INN-Latin]; LS-127057; Nilyph; Ox

1H-Purine-2,6-dione,3,9-dihydro-3-propyl-

3,7-Dihydro-3-propyl-1H-purine-2,6-dione

3,7-dihydro-3-propyl-1H-purine-2,6-dione; 3-Propyl-3,7-dihydro-purine-2,6-dione; 3-n-propylxanthine; 3-propylxanthine

3-n-Propylxanthine

3-N-Propylxanthine;3-Propylxanthine;Enprofilina [INN-Spanish];Enprofyllinum [INN-Latin]

3-Propyl-1H-purine-2,6(3H,7H)-dione

3-Propyl-1H-purine-2,6(3H,9H)-dione

3-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

3-propyl-3,7-dihydro-1H-purine-2,6-dione

3-Propyl-3,7-dihydro-purine-2,6-dione

3-propyl-7H-purine-2,6-dione

3-Propylxanthine

41078-02-8

41078-02-8; D04006; Enprofylline (USAN/INN)

AC1L1BZI

AC1Q6LGE

AR-1F4712

CHEBI:126237

CHEBI:665397

CHEMBL279898

CID1676

D-4028

D04006

DAP000597

DAP001375

DB00824

EINECS 255-201-8

Enprofilina

Enprofilina [INN-Spanish]

enprofilina; enprofylline; enprofyllinum

Enprofylline (INN

Enprofylline (USAN/INN)

Enprofylline paradox

Enprofylline [USAN:INN]

Enprofyllinum

Enprofyllinum [INN-Latin]

EU-0100910

L000242

LS-127057

MFCD00043205

MLS000069700

NCGC00015824-01

NCGC00015824-02

NCGC00015824-05

NCGC00015824-08

NCGC00022716-03

NCGC00022716-04

NCGC00022716-05

Nilyph

Oxeze

P 5679

P5679_SIGMA

PDSP1_001019

PDSP1_001202

PDSP2_001003

PDSP2_001186

SMR000058496

UNII-DT7DT5E518

USAN)

ZINC00403567

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) -0.14 2.78 -10.92 2 6 0 84 194.194 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 288 - 290 Enamine Building Blocks
MP 288...290 Enamine Building Blocks
ALOGPS_SOLUBILITY 5.68e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA2BR-1-E Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6400 0.52 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7200 0.51 Functional ≤ 10μM
Z50512-5-O Cavia Porcellus (cluster #5 Of 7), Other Other 7200 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA2BR_HUMAN P29275 Adenosine A2b Receptor, Human 4730 0.53 Binding ≤ 10μM
AA2AR_HUMAN P29274 Adenosine A2a Receptor, Human 7200 0.51 Functional ≤ 10μM
Z50512 Z50512 Cavia Porcellus 7200 0.51 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
G alpha (s) signalling events
NGF-independant TRKA activation

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