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Drug Name:
Category: PADi
Description: Cl-amidine- PADI , strongly affects the expression of several cell cycle genes
implicated in tumor progression, including p21, GADD45?, and Ki67.
Synonyms:

Structural Information:
2D Image:
Structure 2D: Download
Molecular Formula: C14H19ClN4O2
Molecular Weight: 310.782 g/mol
IUPAC name: N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide
InChI: InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/
h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1
SMILES: NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1

Clinical Information:
FDA status: Experimental
FDA_UNII: -
Clinical Trials : Not recruiting
Clinical Trials

Source: PubChem Bioassay
Bioassay Information
AID CID SID Assay Name Target GI Target GeneID Bioactivity Outcome
712860 24970878 163326132 Drug metabolism in C57Bl/6
mouse at 10 mg/kg, iv measured
within 2 hrs by LC-MS/MS
analysis
Active
712862 24970878 163326132 Induction of apoptosis in
human MDA-MB-231 cells
assessed as increase in
caspase-3 activity
Unspecified
712864 24970878 163326132 Antiproliferative activity
against human MDA-MB-231 cells
assessed as Ki-67 level at 100
to 400 uM
Inactive
712866 24970878 163326132 Cytotoxicity against human
MDA-MB-231 cells assessed as
decrease in cell number at 400
uM after 96 hrs by trypan blue
assay
Active
712867 24970878 163326132 Cytotoxicity against human
MDA-MB-231 cells assessed as
decrease in cell viability at
200 to 400 uM after 96 hrs by
trypan blue assay
Active

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References:
Literature Reference: PMC3572853
Literature: Pubmed
Google Scholar
PubChem ID: 24970878
PubChem Citation: National Center for Biotechnology Information. PubChem Compound Database; CID=24970878, https://pubchem.ncbi.nlm.nih.gov/compound/24970878 (accessed Mar. 8, 2019).
ChEMBL ID: CHEMBL1962361
ZINC DB: -
LiverTox: Not available for Cl-amidine
Human Metabolome database : HMDB