Details of the Drug

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]
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Affected Organisms

Humans and other mammals

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: HU43305R7O
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.