Details of the Drug

General Information of Drug (ID: DMNUM4K)

Drug Name

3-hydroxybenzylhydrazine

Synonyms

3-hydroxybenzylhydrazine; 3-(hydrazinylmethyl)phenol; 637-33-2; 3-(Hydrazinomethyl)phenol; Nsd 1015; m-Hydroxybenzyl hydrazine; UNII-A27K5Q85R2; 3-Hydrazinomethyl-phenol; BRN 1841459; HYDRAZINE, 1-(3-HYDROXYBENZYL)-; CHEMBL352205; NSD-1015; A27K5Q85R2; 3-hydroxy-benzylhydrazine; C7H10N2O; m-hydroxybenzylhydrazine; Phenol,3-(hydrazinylmethyl)-; Spectrum_000313; SpecPlus_000785; AC1L1BYI; Spectrum4_001209; Spectrum5_001883; Spectrum3_000726; Lopac-H-9382; Lopac0_000597; BSPBio_002252; KBioGR_001618; 3-(Hydrazinomethyl)phenol #

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

138.17

Logarithm of the Partition Coefficient (xlogp)

0

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C7H10N2O
IUPAC Name: 3-(hydrazinylmethyl)phenol
Canonical SMILES: C1=CC(=CC(=C1)O)CNN
InChI: InChI=1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2
InChIKey: OFKWWALNMPEOSZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1663
ChEBI ID: CHEBI:104133
CAS Number: 637-33-2
TTD ID: D0P9BM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatic-L-amino-acid decarboxylase (DDC)	TTN451K	DDC_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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
Aromatic-L-amino-acid decarboxylase (DDC)	DTT	DDC	7.84E-03	-1.49	-1.01

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5116).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1271).