Details of the Drug

General Information of Drug (ID: DMTGRAF)

Drug Name

Imidazolidin-2-ylidene-o-tolyl-amine

Synonyms

36318-56-6; Imidazolidine, 2-(2-methylphenylimino)-; N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine; CHEMBL50430; 785724-64-3; (4,5-dihydro-1H-imidazol-2-yl)-o-tolyl-amine; Imidazolidine,2-(2-methylphenylimino)-; AC1L3KDH; Benzenamine,N-2-imidazolidinylidene-2-methyl-; SCHEMBL8020019; CTK5E5913; CTK1C4679; DTXSID30189852; WLQWOUULTDRZTQ-UHFFFAOYSA-N; ZINC13835980; BDBM50213213; 2-(2-Methylphenylimino)imidazolidine; 2-(2-methylphenylimino)-imidazolidine; AKOS027415754; KB-298713

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)

175.23

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C10H13N3
IUPAC Name: N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
Canonical SMILES: CC1=CC=CC=C1NC2=NCCN2
InChI: InChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
InChIKey: WLQWOUULTDRZTQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 142067
CAS Number: 36318-56-6
TTD ID: D09PIF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1B (ADRA1B)	TTBRKXS	ADA1B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Analogs of UK 14,304: Structural features responsible for alpha2 adrenoceptor activity, Bioorg. Med. Chem. Lett. 5(15):1745-1750 (1995).