General Information of Drug (ID: DM17JSI)

Drug Name
CGC-11047
Synonyms
UNII-2C4Y86R2AX; 2C4Y86R2AX; (Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine; 206991-64-2; CHEMBL3104344; CGC-11047 free base; Pg-11047(free base); AC1O51NW; CHEMBL142464; SCHEMBL2360444; BDBM50445365; 308145-19-9; (Z)-N,N'-Bis[3-(ethylamino)propyl]-2-butene-1,4-diamine; 2-Butene-1,4-diamine, N1,N4-bis(3-(ethylamino)propyl)-, (2Z)-; 2-Butene-1,4-diamine, N,N'-bis(3-(ethylamino)propyl)-, (2Z)-; 2-Butene-1,4-diamine, N,N'-bis[3-(ethylamino)propyl]-, tetrahydrochloride, (2Z)-
Indication
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 256.43
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H32N4
IUPAC Name
(Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
Canonical SMILES
CCNCCCNC/C=C\\CNCCCNCC
InChI
InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5-
InChIKey
XFWLTFZLLXVKDY-WAYWQWQTSA-N
Cross-matching ID
PubChem CID
6475492
CAS Number
308145-19-9
DrugBank ID
DB05722
TTD ID
D08EUS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00585416) Study of CGC-11047 in Patients With Metastatic Hormone Refractory Prostate Cancer. U.S. National Institutes of Health.
2 Gene expression analysis of HCT116 colon tumor-derived cells treated with the polyamine analog PG-11047. Cancer Genomics Proteomics. 2009 May-Jun;6(3):161-75.