Details of the Drug

General Information of Drug (ID: DMNG35S)

Drug Name

ABT-751

Synonyms

ABT-751; 141430-65-1; ABT 751; E-7010; ABT751; ABT-751 (E7010); UNII-WDT5V5OB9F; E 7010; WDT5V5OB9F; N-[2-[(4-HYDROXYPHENYL)AMINO]-3-PYRIDYL]-4-METHOXYBENZENESULFONAMIDE; CHEMBL20684; N-(2-((4-Hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide; N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzenesulfonamide; Benzenesulfonamide,N-[2-[(4-hydroxyphenyl)amino]-3-pyridinyl]-4-methoxy-; N-(2-(4-hydroxyphenylamino)pyridin-3-yl)-4-methoxybenzenesulfonamide

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

371.4

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H17N3O4S
IUPAC Name: N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide
Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O
InChI: InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
InChIKey: URCVCIZFVQDVPM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3035714
ChEBI ID: CHEBI:95043
CAS Number: 141430-65-1
DrugBank ID: DB12254
TTD ID: D09EHO
INTEDE ID: DR1853

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin beta (TUBB)	TTYFKSZ	NOUNIPROTAC	Modulator	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 1A1 (UGT1A1)	DEYGVN4	UD11_HUMAN	Substrate	[3]
Sulfotransferase 1B1 (SULT1B1)	DED5UR3	ST1B1_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT00436852) ABT-751 in Treating Children With Neuroblastoma That Has Relapsed or Not Responded to Previous Treatment. U.S. National Institutes of Health.
2	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
3	Preclinical discovery of candidate genes to guide pharmacogenetics during phase I development: the example of the novel anticancer agent ABT-751. Pharmacogenet Genomics. 2013 Jul;23(7):374-81.