Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01495
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| Drug Name |
JNJ 7706621
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| Synonyms |
JNJ-7706621; 443797-96-4; JNJ7706621; 4-((5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl)amino)benzenesulfonamide; UNII-74GK72DON8; RWJ-387252; 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide; CHEMBL191003; 74GK72DON8; 4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide; JNJ 7706621; 4-(5-amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-ylamino)benzenesulfonamide
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| Drug Type |
Small molecular drug
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| Indication | Cancer [ICD11:2A00-2F9Z] | Preclinical | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C15H12F2N6O3S
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| Canonical SMILES |
C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F
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| InChI |
InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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| InChIKey |
KDKUVYLMPJIGKA-UHFFFAOYSA-N
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| CAS Number |
CAS 443797-96-4
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| Pharmaceutical Properties | Molecular Weight | 394.4 | Topological Polar Surface Area | 154 | ||
| Heavy Atom Count | 27 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 10 | |||
| XLogP |
2.4
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| PubChem CID | ||||||
| PubChem SID |
8036422
,11062401
,12015752
,15174185
,39303404
,50100105
,51710589
,99437050
,103459325
,103905616
,113916272
,124756117
,124757114
,125163918
,125749047
,126728322
,131480738
,134343899
,135685408
,135685409
,135685428
,136340238
,136367371
,136367910
,136920341
,137275995
,142802375
,143498411
,144116095
,152234900
,152258176
,152344088
,160647013
,162011815
,162037517
,162202611
,162527774
,163410374
,163848324
,164193991
,170482001
,172113491
,172914002
,174561024
,177748752
,178102555
,180386842
,186007036
,188899536
,198980347
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| ChEBI ID |
CHEBI:94506
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | SelleckChem-small molecule inhibitors & libraries: JNJ-7706621 | |||||
| 2 | Role of the ABCG2 drug transporter in the resistance and oral bioavailability of a potent cyclin-dependent kinase/Aurora kinase inhibitor. Mol Cancer Ther. 2006 Oct;5(10):2459-67. | |||||
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