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: CHEBI:28820
CAS Number: 484-17-3
TTD ID: D0G2MU

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
Complement C3 (C3)	OTCH5GS0	CO3_HUMAN	Gene/Protein Processing	[3]
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Regulation of Drug Effects	[4]
Cytochrome P450 1A2 (CYP1A2)	OTLLBX48	CP1A2_HUMAN	Regulation of Drug Effects	[4]
Cytochrome P450 1B1 (CYP1B1)	OTYXFLSD	CP1B1_HUMAN	Regulation of Drug Effects	[4]
Cytochrome P450 2A13 (CYP2A13)	OTVUDLT3	CP2AD_HUMAN	Regulation of Drug Effects	[4]
Estrogen receptor beta (ESR2)	OTXNR2WQ	ESR2_HUMAN	Drug Response	[3]
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	[5]
Transient receptor potential cation channel subfamily M member 5 (TRPM5)	OTLYEES9	TRPM5_HUMAN	Gene/Protein Processing	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

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	Structure-Function Studies of Naphthalene, Phenanthrene, Biphenyl, and Their Derivatives in Interaction with and Oxidation by Cytochromes P450 2A13 and 2A6. Chem Res Toxicol. 2016 Jun 20;29(6):1029-40. doi: 10.1021/acs.chemrestox.6b00083. Epub 2016 May 12.
5	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.