Drug Information

Drug General Information
Drug ID
D0U6DF
Former ID
DNC000354
Drug Name
Br-WR99210
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534947]
Structure
Download
2D MOL

3D MOL
Formula
C28H28N4O3
Canonical SMILES
CN(C)CC1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C<br />65)C(=O)NC4=O
InChI
1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
InChIKey
ZCBUQCWBWNUWSU-SFHVURJKSA-N
CAS Number
CAS 169939-94-0
PubChem Compound ID
153999
PubChem Substance ID
833541, 10251931, 10318977, 14760780, 14760781, 46230219, 46393342, 46517285, 50070524, 50071162, 50100106, 50462855, 57347953, 85267527, 103298456, 104020046, 104437748, 126665974, 129881271, 134223871, 134339404, 134339800, 134340199, 134340298, 135109631, 137249719, 137266253, 142787245, 178101947, 179150054, 198935331, 223661453, 228602703
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [534947]
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 534947Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs. J Mol Biol. 2000 Jan 14;295(2):307-23.
Ref 534947Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs. J Mol Biol. 2000 Jan 14;295(2):307-23.

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