Details of the Drug

General Information of Drug (ID: DMBKVM4)

Drug Name

2-chloro-N-(6-cyanopyridin-3-yl)propanamide

Synonyms

2-chloro-N-(6-cyanopyridin-3-yl)propanamide; 1112994-35-0; SCHEMBL1483919; CHEMBL446834; VFOLQYOVUCHHET-UHFFFAOYSA-N

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

209.63

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H8ClN3O
IUPAC Name: 2-chloro-N-(6-cyanopyridin-3-yl)propanamide
Canonical SMILES: CC(C(=O)NC1=CN=C(C=C1)C#N)Cl
InChI: InChI=1S/C9H8ClN3O/c1-6(10)9(14)13-8-3-2-7(4-11)12-5-8/h2-3,5-6H,1H3,(H,13,14)
InChIKey: VFOLQYOVUCHHET-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serine/threonine-protein kinase mTOR (mTOR)	TTCJG29	MTOR_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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
Serine/threonine-protein kinase mTOR (mTOR)	DTT	MTOR	2.16E-05	-0.44	-2.3

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Synthesis and therapeutic evaluation of pyridyl based novel mTOR inhibitors. Bioorg Med Chem Lett. 2009 Jun 1;19(11):2949-52.