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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
1121830 24970878 163326132 Inhibition of
thapsigargin-induced cell
death in human NSC assessed as
cell survival at <=1 uM
treated 15 mins prior to
thapsigargin addition measured
after 24 hrs drug treatment by
methylene blue assay
Inactive
1121833 24970878 163326132 Inhibition of human
recombinant PAD3 expressed in
HEK293T cells assessed as
conversion of BAEE to sodium
benzoyl-L-citrulline at 10 nM
to 100 uM by colorimetric
analysis
56757696 51702 Active
1196527 24970878 163326132 Ratio of Kinact to Ki for PAD2
(unknown origin) using
N-alpha-benzoyl-L-arginine
ethyl ester as substrate
assessed as citrulline
production after 15 mins by
COLDER assay
7531171 11240 Unspecified
1196529 24970878 163326132 Antiproliferative activity
against human U2OS cells
expressing PAD4 assessed as
cell viability after 72 hrs by
XTT assay
Unspecified
1196532 24970878 163326132 Inhibition of PAD4 in C57BL/6
mouse bone marrow neutrophils
assessed as inhibition of
PMA-stimulated neutrophil
extracellular trap formation
at 2 to 200 uM preincubated
for 30 mins followed by PMA
stimulation measured after 3
to 4 hrs by DNA/neutrophil
elastase overlap assay
341942216 18602 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