Drug Information

Drug General Information
Drug ID
D0EX7B
Former ID
DNC000995
Drug Name
NB-3040
Drug Type
Small molecular drug
Indication Gram-positive bacterial infection [ICD9:] Investigative [536094]
Company
New biotics
Structure
Download
2D MOL

3D MOL
Formula
C16H12Cl2N2O
Canonical SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
InChIKey
PUMYFTJOWAJIKF-UHFFFAOYSA-N
CAS Number
CAS 14439-61-3
PubChem Compound ID
1688
PubChem Substance ID
629453, 855615, 1064603, 5032806, 8151243, 15396253, 16961256, 24892765, 29220891, 47216957, 47291300, 47365397, 47589165, 47810947, 48035328, 48110640, 49845857, 49884088, 50100939, 56312857, 56422877, 57320986, 74938469, 89651644, 95515627, 103206184, 104298431, 109613651, 124799440, 124883503, 124883504, 128970145, 134223072, 134340266, 134340437, 134349213, 134990592, 137052431, 140280683, 162223583, 166729900, 178126525, 179046571, 198965137, 226442150, 250113435, 252340220
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [536094]
PathWhiz Pathway Folate Metabolism
Pterine Biosynthesis
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific Transcription
References
Ref 536094Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.
Ref 536094Emerging drugs for bacterial urinary tract infections. Expert Opin Emerg Drugs. 2005 May;10(2):275-98.

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