Details of the Drug

General Information of Drug (ID: DM52Y3Q)

Drug Name

4-((naphthalen-2-ylamino)methyl)benzene-1,2-diol

Synonyms

CHEMBL1240677; 4-((naphthalen-2-ylamino)methyl)benzene-1,2-diol; BDBM50326006

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)

265.31

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H15NO2
IUPAC Name: 4-[(naphthalen-2-ylamino)methyl]benzene-1,2-diol
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)NCC3=CC(=C(C=C3)O)O
InChI: InChI=1S/C17H15NO2/c19-16-8-5-12(9-17(16)20)11-18-15-7-6-13-3-1-2-4-14(13)10-15/h1-10,18-20H,11H2
InChIKey: QYMHAOZLKJHVDJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin receptor (INSR)	TTCBFJO	INSR_HUMAN	Inhibitor	[1]
Insulin-like growth factor I receptor (IGF1R)	TTHRID2	IGF1R_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
Insulin receptor (INSR)	DTT	INSR	1.03E-05	0.26	0.66

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ATP non-competitive IGF-1 receptor kinase inhibitors as lead anti-neoplastic and anti-papilloma agents. Eur J Pharmacol. 2007 May 7;562(1-2):1-11.