Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H14FN5O |
| Molecular Weight | 335.3351 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
FC1=CN=CC=C1C2=C(N=C(NC(=O)C3CC3)C=N2)C4=CC=CN=C4
InChI
InChIKey=XUYURJQIMYCWBB-UHFFFAOYSA-N
InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
| Molecular Formula | C18H14FN5O |
| Molecular Weight | 335.3351 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:48:58 GMT 2023
by
admin
on
Sat Dec 16 11:48:58 GMT 2023
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| Record UNII |
3EBU6WKP85
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| Record Status |
Validated (UNII)
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| Record Version |
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Code | English |
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16071896
Created by
admin on Sat Dec 16 11:48:58 GMT 2023 , Edited by admin on Sat Dec 16 11:48:58 GMT 2023
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3EBU6WKP85
Created by
admin on Sat Dec 16 11:48:58 GMT 2023 , Edited by admin on Sat Dec 16 11:48:58 GMT 2023
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CHEMBL1672627
Created by
admin on Sat Dec 16 11:48:58 GMT 2023 , Edited by admin on Sat Dec 16 11:48:58 GMT 2023
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925676-48-8
Created by
admin on Sat Dec 16 11:48:58 GMT 2023 , Edited by admin on Sat Dec 16 11:48:58 GMT 2023
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
In order to better interpret in vivo efficacy results obtained in the mouse, both human and mouse receptors were used for these assays. The results (IC50 (nM): human A2B = 120 +/- 21
mouse A2B = 512 +/- 67) indicated that 17 was active in inhibiting A2B receptor-dependent cAMP signaling in both the human and mouse forms of the receptor and that the compound was approximately 4-fold more active in inhibiting signaling of the human receptor than that of the mouse receptor. The general selectivity of 17 was found to be excellent. When tested at a concentration of 10 .MU.M in a diverse panel of more than 340 enzymes, receptors, channels, and transporters, 17 was found to be >400-fold selective.
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ACTIVE MOIETY |
Originator: Laboratorios Almirall; Mechanism of Action: Adenosine A2 receptor antagonist; Highest Development Phase: Discontinued for Asthma; Most Recent Event: 02 Aug 2007 Phase-I clinical trials in Asthma in Europe (unspecified route)
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