Details of the Drug

General Information of Drug (ID: DMJFBQ1)

Drug Name
9-phenanthrol
Synonyms
Phenanthren-9-ol; 9-PHENANTHROL; 9-Hydroxyphenanthrene; 9-Phenanthrenol; 484-17-3; UNII-9FYU45OV9H; NSC 50554; CCRIS 1840; EINECS 207-602-4; BRN 2047057; 9FYU45OV9H; CHEBI:28820; DZKIUEHLEXLYKM-UHFFFAOYSA-N; AC1Q7B0Z; AC1L1UR8; DSSTox_RID_82439; DSSTox_CID_27592; ACMC-1AD67; DSSTox_GSID_47592; 4-06-00-04937 (Beilstein Handbook Reference); SCHEMBL508755; 9-Phenanthrol, technical grade; GTPL4114; CHEMBL2407182; DTXSID9047592; CTK1D6170; DZKIUEHLEXLYKM-UHFFFAOYSA-; MolPort-001-787-230; ZINC967824; KS-000018CG; NSC50554; AC1Q7986
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 194.23
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C14H10O
IUPAC Name
phenanthren-9-ol
Canonical SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)O
InChI
InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H
InChIKey
DZKIUEHLEXLYKM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10229
ChEBI ID
CHEMBL2407182
CAS Number
484-17-3
TTD ID
D0G2MU
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Long transient receptor potential channel 4 (TRPM4) TTJ2HKA TRPM4_HUMAN Blocker (channel blocker) [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Nuclear receptor-interacting protein 1 (NRIP1) OTIZOJQV NRIP1_HUMAN Gene/Protein Processing [3]
Protein jagged-1 (JAG1) OT3LGT6K JAG1_HUMAN Gene/Protein Processing [3]
Sodium channel protein type 5 subunit alpha (SCN5A) OTGYZWR6 SCN5A_HUMAN Gene/Protein Processing [4]
Transient receptor potential cation channel subfamily M member 5 (TRPM5) OTLYEES9 TRPM5_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The TRPM4 channel inhibitor 9-phenanthrol. Br J Pharmacol. 2014 Apr;171(7):1600-13.
2 9-phenanthrol inhibits human TRPM4 but not TRPM5 cationic channels. Br J Pharmacol. 2008 Apr;153(8):1697-705.
3 Differential action of monohydroxylated polycyclic aromatic hydrocarbons with estrogen receptors and . Toxicol Sci. 2013 Apr;132(2):359-67. doi: 10.1093/toxsci/kfs287. Epub 2012 Sep 18.
4 The transient receptor potential melastatin 4 channel inhibitor 9-phenanthrol modulates cardiac sodium channel. Br J Pharmacol. 2018 Dec;175(23):4325-4337. doi: 10.1111/bph.14490. Epub 2018 Oct 14.