Details of the Drug

General Information of Drug (ID: DMLV59R)

Drug Name

4-((1H-indazol-6-ylamino)methyl)benzene-1,2-diol

Synonyms

CHEMBL1240676; 4-((1H-indazol-6-ylamino)methyl)benzene-1,2-diol; BDBM50326004

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)

255.27

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H13N3O2
IUPAC Name: 4-[(1H-indazol-6-ylamino)methyl]benzene-1,2-diol
Canonical SMILES: C1=CC(=C(C=C1CNC2=CC3=C(C=C2)C=NN3)O)O
InChI: InChI=1S/C14H13N3O2/c18-13-4-1-9(5-14(13)19)7-15-11-3-2-10-8-16-17-12(10)6-11/h1-6,8,15,18-19H,7H2,(H,16,17)
InChIKey: FOCLURCEJLBSGE-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]

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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
Insulin receptor (INSR)	DTT	INSR	1.03E-05	0.26	0.66

Molecular Expression Atlas (MEA)

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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.