Details of the Drug

General Information of Drug (ID: DMHA5ME)

Drug Name

AZD-9684

Synonyms

Laudanosine; DL-Laudanosine; 1699-51-0; (+-)-Laudanosine; Laudanosine (R,S); (R,S)-Laudanosine; EINECS 216-923-9; NSC 94267; AI3-61890; 20412-65-1; NSC35045; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline; (+-)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinoline; 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline; ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYL-, (+-)-

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

226.3

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C10H14N2O2S
IUPAC Name: (2S,3R)-2-[(6-aminopyridin-3-yl)methyl]-3-sulfanylbutanoic acid
Canonical SMILES: C[C@H]([C@@H](CC1=CN=C(C=C1)N)C(=O)O)S
InChI: InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1
InChIKey: GYIYAOUGKJSCCG-HTRCEHHLSA-N

Cross-matching ID

PubChem CID: 87609775
DrugBank ID: DB05712
TTD ID: D0F7FX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carboxypeptidase B2 (CPB2)	TTP18AY	CBPB2_HUMAN	Inhibitor	[2]
Neuronal acetylcholine receptor alpha-2/alpha-3 (CHRNA2/A3)	TTMT0HG	ACHA2_HUMAN ; ACHA3_HUMAN	Antagonist	[3]
Neuronal acetylcholine receptor alpha-7 (CHRNA7)	TTLA931	ACHA7_HUMAN	Antagonist	[3]
Neuronal acetylcholine receptor beta-2 (CHRNB2)	TT5KPZR	ACHB2_HUMAN	Antagonist	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Thrombosis

ICD Disease Classification

DB61-GB90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Neuronal acetylcholine receptor beta-2 (CHRNB2)	DTT	CHRNB2	7.10E-08	-0.15	-0.85

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression 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 800018349)
2	Clinical pipeline report, company report or official report of AstraZeneca.
3	Blockade and activation of the human neuronal nicotinic acetylcholine receptors by atracurium and laudanosine. Anesthesiology. 2001 Apr;94(4):643-51.