Details of the Drug

General Information of Drug (ID: DMEKI1J)

Drug Name

Carazolol

Synonyms

Carazolol; 57775-29-8; Conducton; Suacron; corazolol; Carazolol [INN:BAN]; 1-((9H-Carbazol-4-yl)oxy)-3-(isopropylamino)propan-2-ol; Carazololum [INN-Latin]; CCRIS 1047; Conducton hydrochloride; 1-(Carbazol-4-yloxy)-3-(isopropylamino)-2-propanol; 1-(9H-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol; EINECS 260-945-1; BRN 3620576; BM-51052; BM 51052; CHEMBL324665; 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol; 1-(4-Carbazolyloxy)-3-isopropylamino-2-propanol

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)

298.4

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H22N2O2
IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Canonical SMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
InChI: InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
InChIKey: BQXQGZPYHWWCEB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 71739
ChEBI ID: CHEBI:135261
CAS Number: 57775-29-8
TTD ID: D0A9ED

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-1 (ADRB1)	TTR6W5O	ADRB1_HUMAN	Agonist	[2]
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Agonist	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Gene/Protein Processing	[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
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16

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: 569).
2	Current therapeutic uses and potential of beta-adrenoceptor agonists and antagonists. Eur J Clin Pharmacol. 1998 Feb;53(6):389-404.
3	Organic chemicals from diesel exhaust particles affects intracellular calcium, inflammation and -adrenoceptors in endothelial cells. Toxicol Lett. 2019 Mar 1;302:18-27. doi: 10.1016/j.toxlet.2018.11.009. Epub 2018 Nov 29.