Details of the Drug

General Information of Drug (ID: DMYC1T6)

Drug Name

4-AMINOPHENOL

Synonyms

4-aminophenol; 123-30-8; p-aminophenol; 4-hydroxyaniline; p-hydroxyaniline; Phenol, 4-amino-; Paranol; Certinal; Citol; Azol; 4-aminobenzenol; Fouramine P; Ursol P Base; Rodinal; p-Hydroxyphenylamine; Benzofur P; Fourrine P Base; Pelagol P Base; Tertral P Base; Ursol P; Furro P Base; Nako Brown R; Durafur Brown RB; 4-Amino-1-hydroxybenzene; Renal AC; Fourrine 84; Phenol, p-amino-; Zoba Brown P Base; 4-AMINO-PHENOL; UNAL; C.I. Oxidation Base 6; 1-Amino-4-hydroxybenzene; Pelagol Grey P Base; BASF Ursol P Base; p-Aminofenol; Para-aminophenol

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)

109.13

Logarithm of the Partition Coefficient (xlogp)

0

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C6H7NO
IUPAC Name: 4-aminophenol
Canonical SMILES: C1=CC(=CC=C1N)O
InChI: InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKey: PLIKAWJENQZMHA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 403
ChEBI ID: CHEBI:17602
CAS Number: 123-30-8
TTD ID: D07MTM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase XIV (CA-XIV)	TTEYTKG	CAH14_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Heme oxygenase 1 (HMOX1)	OTC1W6UX	HMOX1_HUMAN	Gene/Protein Processing	[2]
RAC-alpha serine/threonine-protein kinase (AKT1)	OT8H2YY7	AKT1_HUMAN	Post-Translational Modifications	[3]

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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
Carbonic anhydrase XIV (CA-XIV)	DTT	CA14	5.79E-07	-0.09	-0.16

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Bioorg Med Chem. 2008 Aug 1;16(15):7424-8.
2	A Quantitative Approach to Screen for Nephrotoxic Compounds In Vitro. J Am Soc Nephrol. 2016 Apr;27(4):1015-28. doi: 10.1681/ASN.2015010060. Epub 2015 Aug 10.
3	p-Aminophenol-induced cytotoxicity in Jurkat T cells: protective effect of 2(RS)-n-propylthiazolidine-4(R)-carboxylic acid. J Biochem Mol Toxicol. 2012 Feb;26(2):71-8. doi: 10.1002/jbt.20402. Epub 2011 Dec 8.