Details of the Drug

General Information of Drug (ID: DM64WYC)

Drug Name
ATX-101
Synonyms ATX-101, APIM Therapeutics; Proliferating cell nuclear antigen (peptide, cancer), APIM
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Phase 3 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 392.6
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H40O4
IUPAC Name
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey
KXGVEGMKQFWNSR-LLQZFEROSA-N
Cross-matching ID
PubChem CID
222528
ChEBI ID
CHEBI:28834
CAS Number
83-44-3
DrugBank ID
DB03619
TTD ID
D02PQB
INTEDE ID
DR2468
ACDINA ID
D00996

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proliferating cell nuclear antigen (PCNA) TTLG1PD PCNA_HUMAN Immunomodulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Benzyl alcohol E00010 244 Antimicrobial preservative; Solvent
Disodium hydrogenorthophosphate E00283 24203 Buffering agent; Complexing agent
Sodium chloride E00077 5234 Diluent; Tonicity agent
Sodium hydroxide E00234 14798 Alkalizing agent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Deoxycholic Acid 20mg/2ml solution 20mg/2ml Solution Subcutaneous
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 610).
2 Targeting proliferating cell nuclear antigen and its protein interactions induces apoptosis in multiple myeloma cells. PLoS One. 2013 Jul 31;8(7):e70430.