Details of the Drug

General Information of Drug (ID: DMH6LCD)

Drug Name

A-81282

Synonyms

141872-46-0; Abbott 81282; A-81282; CHEMBL333534; 4-[butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic acid; 5-Pyrimidinecarboxylicacid, 4-[butyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-; Abbott-81282; ACMC-20cd64; AC1Q5UC5; AC1L4U4U; A 81282; Oprea1_016094; SCHEMBL7939345; CTK8G9360; CTK0I0417; DTXSID70161839; MolPort-039-032-861; ZINC1533713; BDBM50003155; AKOS027380884; 4-(butyl{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}amino)pyrimidine-5-carboxylic acid; CC-17571

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

429.5

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C23H23N7O2
IUPAC Name: 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
Canonical SMILES: CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=NC=NC=C4C(=O)O
InChI: InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKey: AHZXSVWCNDLJER-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 192314
CAS Number: 141872-46-0
TTD ID: D0O0RK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor (AGTR)	TTGN1ZA	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002508)
2	Pharmacological characterization of Abbott-81282, a novel, non-peptide angiotensin-II antagonist selective for type-1 receptors. Life Sci. 1993;53(11):929-37.