Details of the Drug

General Information of Drug (ID: DMYPG01)

Drug Name

CMI-1145

Synonyms

AKOS014861624

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

180.21

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C8H12N4O
IUPAC Name: 5-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-3-amine
Canonical SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)C3=NC(=NO3)N
InChI: InChI=1S/C8H12N4O/c9-8-11-7(13-12-8)5-3-4-1-2-6(5)10-4/h4-6,10H,1-3H2,(H2,9,12)/t4-,5-,6+/m1/s1
InChIKey: XODBGPCGVOHHEP-PBXRRBTRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M2 (CHRM2)	TTYEG6Q	ACM2_HUMAN	Agonist	[1]
Muscarinic acetylcholine receptor M4 (CHRM4)	TTQ3JTF	ACM4_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M2 (CHRM2)	DTT	CHRM2	4.61E-07	-0.59	-0.73

Molecular Expression Atlas (MEA)

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References

1	Evaluation of muscarinic agonist-induced analgesia in muscarinic acetylcholine receptor knockout mice. Mol Pharmacol. 2002 Nov;62(5):1084-93.