Details of the Drug

General Information of Drug (ID: DMN3YEQ)

Drug Name

CG-1521

Synonyms

CG-1521; UNII-028K52V859; 028K52V859; 2,4,6-Heptatrienamide, N-hydroxy-7-phenyl-, (2E,4E,6E)-; 674767-29-4; CHEMBL159249; SCHEMBL10323570; DBBYYRWVNDQECM-CDWOPPGASA-N; N-hydroxy-7-phenylhepta-2,4,6-trienamide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

215.25

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H13NO2
IUPAC Name: (2E,4E,6E)-N-hydroxy-7-phenylhepta-2,4,6-trienamide
Canonical SMILES: C1=CC=C(C=C1)/C=C/C=C/C=C/C(=O)NO
InChI: InChI=1S/C13H13NO2/c15-13(14-16)11-7-2-1-4-8-12-9-5-3-6-10-12/h1-11,16H,(H,14,15)/b2-1+,8-4+,11-7+
InChIKey: DBBYYRWVNDQECM-CDWOPPGASA-N

Cross-matching ID

PubChem CID: 10220017
ChEBI ID: CHEBI:156510
CAS Number: 674767-29-4
TTD ID: D0LK8U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cyclin-dependent kinase 4 (CDK4)	OT7EP05T	CDK4_HUMAN	Gene/Protein Processing	[2]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[2]
Cyclin-dependent kinase inhibitor 1B (CDKN1B)	OTNY5LLZ	CDN1B_HUMAN	Gene/Protein Processing	[2]
Retinoblastoma-associated protein (RB1)	OTQJUJMZ	RB_HUMAN	Post-Translational Modifications	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Anticancer activities of histone deacetylase inhibitors. Nat Rev Drug Discov. 2006 Sep;5(9):769-84.
2	Histone deacetylase inhibitor BL1521 induces a G1-phase arrest in neuroblastoma cells through altered expression of cell cycle proteins. FEBS Lett. 2005 Feb 28;579(6):1523-8. doi: 10.1016/j.febslet.2005.01.058.