Drug Information

Drug General Information
Drug ID
D00UMG
Former ID
DNC008345
Drug Name
ANALOGUE A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528602]
Structure
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2D MOL

3D MOL
Formula
C23H23Cl2N3O3
Canonical SMILES
C1CN(CCC1O)C(=O)C(CC2=CC=CC=C2Cl)NC(=O)C3=CC4=C(N3)C=CC<br />(=C4)Cl
InChI
1S/C23H23Cl2N3O3/c24-16-5-6-19-15(11-16)13-20(26-19)22(30)27-21(12-14-3-1-2-4-18(14)25)23(31)28-9-7-17(29)8-10-28/h1-6,11,13,17,21,26,29H,7-10,12H2,(H,27,30)/t21-/m0/s1
InChIKey
HJMXVPPJJMSWFO-NRFANRHFSA-N
PubChem Compound ID
44450788
Target and Pathway
Target(s) Fungal Cytochrome P450 51 Target Info Inhibitor [528602]
References
Ref 528602Drug Metab Dispos. 2007 Mar;35(3):493-500. Epub 2006 Dec 28.Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors.
Ref 528602Drug Metab Dispos. 2007 Mar;35(3):493-500. Epub 2006 Dec 28.Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors.

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