Details of the Drug

General Information of Drug (ID: DMCEOAJ)

Drug Name

Sabcomeline

Synonyms

Sabcomeline; 159912-53-5; UNII-P8P92V596C; SB-202026; CHEMBL134641; P8P92V596C; Sabcomeline [INN:BAN]; SCHEMBL3838658; sb202026; CHEBI:134846; BDBM50061705; AKOS022181195; AKOS006331527; AN-31122; 912S535; (3Z,3R)-N-methoxyquinuclidine-3-carboximidoyl cyanide

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

193.25

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Adverse Drug Reaction (ADR)

ADR Term	Variation	Related DOT	DOT ID	REF
Bradycardia	Not Available	CHRM2	OTUMZ2WR	[1]
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Chemical Identifiers

Formula: C10H15N3O
IUPAC Name: (3Z,3R)-N-methoxy-1-azabicyclo[2.2.2]octane-3-carboximidoyl cyanide
Canonical SMILES: CO/N=C(\\C#N)/[C@H]1CN2CCC1CC2
InChI: InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
InChIKey: IQWCBYSUUOFOMF-QTLFRQQHSA-N

Cross-matching ID

PubChem CID: 9577995
ChEBI ID: CHEBI:134846
CAS Number: 159912-53-5
TTD ID: D09FYQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Agonist	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Muscarinic acetylcholine receptor M2 (CHRM2)	OTUMZ2WR	ACM2_HUMAN	Drug Response	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	8.42E-02	-0.38	-0.24
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	2.55E-01	0.14	0.37

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
2	Pharmacological comparison of muscarinic ligands: historical versus more recent muscarinic M1-preferring receptor agonists. Eur J Pharmacol. 2009 Mar 1;605(1-3):53-6.