Details of the Drug

General Information of Drug (ID: DMQPKWM)

Drug Name

2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine

Synonyms

2,4-diamino-6-phenyl-5,6,7,8,-tetrahydropteridine; (6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine; AC1L9HFU

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)

242.28

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C12H14N6
IUPAC Name: (6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine
Canonical SMILES: C1[C@H](NC2=C(N=C(N=C2N1)N)N)C3=CC=CC=C3
InChI: InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1
InChIKey: VEKRIXRQADJFAG-QMMMGPOBSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[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
Nitric-oxide synthase endothelial (NOS3)	DTT	NOS3	3.68E-01	-0.11	-0.85

Molecular Expression Atlas (MEA)

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References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.