Details of the Drug

General Information of Drug (ID: DMD6ZV5)

Drug Name

2,7-Bis[3-(pyrrolidino)propionamido]anthraquinone

Synonyms

2,7-Bis[3-(pyrrolidino)propionamido]anthraquinone; CHEMBL144757; SCHEMBL4298492; CUZAYOMYKDAXQR-UHFFFAOYSA-N; BDBM50068320; N,N'-(9,10-Dihydro-9,10-dioxoanthracene-2,7-diyl)bis[3-(pyrrolidine-1-yl)propanamide]

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

488.6

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C28H32N4O4
IUPAC Name: N-[9,10-dioxo-7-(3-pyrrolidin-1-ylpropanoylamino)anthracen-2-yl]-3-pyrrolidin-1-ylpropanamide
Canonical SMILES: C1CCN(C1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=C(C=C4)NC(=O)CCN5CCCC5
InChI: InChI=1S/C28H32N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)28(36)24-18-20(6-8-22(24)27(21)35)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18H,1-4,9-16H2,(H,29,33)(H,30,34)
InChIKey: CUZAYOMYKDAXQR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10719801
TTD ID: D04KDW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TERT messenger RNA (TERT mRNA)	TTQY2EJ	TERT_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis, human telomerase inhibition and anti-proliferative studies of a series of 2,7-bis-substituted amido-anthraquinone derivatives. Bioorg Med Chem. 2008 Jul 15;16(14):6976-86.