Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMF8M0W)

• Drug Name: tetrahydrodeoxycorticosterone Drug Info
• Synonyms: Tetrahydrodeoxycorticosterone; 567-02-2; 3alpha,21-Dihydroxy-5alpha-pregnan-20-one; Allotetrahydrodeoxycorticosterone; 5alpha-THDOC; 5-alpha-THDOC; 5alpha-Pregnane-3alpha,21-diol-20-one; CHEMBL1256760; 21-Hydroxyallopregnanolone; CHEBI:34461; 3a,21-dihydroxy-5a-pregnan-20-one; 2-hydroxy-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone; THDOC; A-Pregnane-3; A,21-diol-20-one; A,21-Dihydroxy-5; A-pregnan-20-one; EINECS 209-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 101771
  ChEBI ID: CHEBI:34461
  CAS Number: CAS 567-02-2
  TTD Drug ID: DMF8M0W

Molecule-Related Drug Atlas

Drug(s) Targeting GABA(A) receptor alpha-5 (GABRA5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flumazenil	DMPCG2L	Benzodiazepine overdose	PC91	Approved	[4]
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[7]
Basmisanil	DMQ8J0U	Alzheimer disease	8A20	Phase 2	[8]
RG-7816	DMD16JK	Autism spectrum disorder	6A02	Phase 1	[9]
TBPS	DMFC3XP	Discovery agent	N.A.	Investigative	[4]
AMENTOFLAVONE	DMLRNV2	Discovery agent	N.A.	Investigative	[10]
Ro-15-3505	DM4NW3U	Discovery agent	N.A.	Investigative	[11]
isonipecotic acid	DMO1ZHE	Discovery agent	N.A.	Investigative	[4]
[3H]Ro154513	DMMBWKL	Discovery agent	N.A.	Investigative	[12]
[3H]CGS8216	DMLP68J	Inflammation	1A00-CA43.1	Investigative	[4]

Drug(s) Targeting GABA(A) receptor gamma-3 (GABRG3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Zolpidem	DMWOSKJ	Insomnia	7A00-7A0Z	Approved	[5]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[8]
Clobazam - Lundbeck	DMW1OQ0	Anxiety disorder	6B00-6B0Z	Approved	[13]
Flumazenil	DMPCG2L	Benzodiazepine overdose	PC91	Approved	[5]
Stiripentol	DMMSDOY	Dravet syndrome	8A61.11	Approved	[14]
Thiamylal	DMHDF7B	Anaesthesia	9A78.6	Approved	[13]
Ganaxolone	DMXJMKF	Epileptic seizures	8A61-8A6Z	Approved	[8]
Mebutamate	DM0KYI4	Anxiety disorder	6B00-6B0Z	Approved	[13]
Metharbital	DM5A38V	Epilepsy	8A60-8A68	Approved	[13]
Etomidate	DMZI3WO	Anaesthesia	9A78.6	Approved	[13]

Drug(s) Targeting GABA(A) receptor alpha-2 (GABRA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flumazenil	DMPCG2L	Benzodiazepine overdose	PC91	Approved	[2]
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[7]
PF-4480682	DMWYJHC	Neuropathic pain	8E43.0	Discontinued in Phase 2	[15]
CGS-17867A	DMMZJY3	Alcohol dependence	6C40.2	Terminated	[16]
TBPS	DMFC3XP	Discovery agent	N.A.	Investigative	[2]
AMENTOFLAVONE	DMLRNV2	Discovery agent	N.A.	Investigative	[10]
Ro-15-3505	DM4NW3U	Discovery agent	N.A.	Investigative	[11]
isonipecotic acid	DMO1ZHE	Discovery agent	N.A.	Investigative	[2]
[3H]Ro154513	DMMBWKL	Discovery agent	N.A.	Investigative	[12]
[3H]CGS8216	DMLP68J	Inflammation	1A00-CA43.1	Investigative	[2]

Drug(s) Targeting GABA(A) receptor alpha-3 (GABRA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flumazenil	DMPCG2L	Benzodiazepine overdose	PC91	Approved	[3]
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[7]
Adipiplon	DM821BS	Sleep-wake disorder	7A00-7B2Z	Phase 2	[17]
NS-2710	DMMUR6V	Anxiety disorder	6B00-6B0Z	Phase 2	[18]
AZD6280	DMFAZLU	Anxiety disorder	6B00-6B0Z	Discontinued in Phase 1	[19]
TBPS	DMFC3XP	Discovery agent	N.A.	Investigative	[3]
AMENTOFLAVONE	DMLRNV2	Discovery agent	N.A.	Investigative	[10]
Ro-15-3505	DM4NW3U	Discovery agent	N.A.	Investigative	[11]
isonipecotic acid	DMO1ZHE	Discovery agent	N.A.	Investigative	[3]
[3H]Ro154513	DMMBWKL	Discovery agent	N.A.	Investigative	[12]

Drug(s) Affected By Aldo-keto reductase family 1 member C2 (AKR1C2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[20]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[21]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[22]
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[23]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[20]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[24]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[25]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[20]
Liothyronine	DM6IR3P	Congenital hypothyroidism		Approved	[26]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[27]

Drug(s) Affected By Aldo-keto reductase family 1 member C1 (AKR1C1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[28]
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[20]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[21]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[29]
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[20]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[20]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[30]
Glimepiride	DM5FSJA	Diabetic complication	5A2Y	Approved	[31]
Ethacrynic acid	DM60QMR	Edema	MG29	Approved	[29]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[20]

Drug(s) Affected By Aldo-keto reductase family 1 member C4 (AKR1C4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Meclofenamic acid	DM05FXR	Ankylosing spondylitis	FA92.0	Approved	[32]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[21]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[33]
Benzbromarone	DMC3YUA	Gout	FA25	Approved	[6]
Flufenamic Acid	DMC8VNH	Dysmenorrhea	GA34.3	Approved	[6]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[34]
Nitrazepam	DMEGIQ6	Epilepsy	8A60-8A68	Approved	[21]
Flunitrazepam	DMGR5Z3	Insomnia	7A00-7A0Z	Approved	[21]
Chenodiol	DMQ8JIK	Cholelithiasis	DC11	Approved	[35]
Gamolenic acid	DMQN30Z	Allergy	4A80-4A85	Approved	[36]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Modulator (allosteric modulator)	[2]
GABA(A) receptor alpha-3 (GABRA3)	TT37EDJ	GBRA3_HUMAN	Modulator (allosteric modulator)	[3]
GABA(A) receptor alpha-5 (GABRA5)	TTNZPQ1	GBRA5_HUMAN	Modulator (allosteric modulator)	[4]
GABA(A) receptor gamma-3 (GABRG3)	TTEX6LM	GBRG3_HUMAN	Modulator (allosteric modulator)	[5]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aldo-keto reductase family 1 member C1 (AKR1C1)	OTQKR4CM	AK1C1_HUMAN	Biotransformations	[6]
Aldo-keto reductase family 1 member C2 (AKR1C2)	OTQ2XMO3	AK1C2_HUMAN	Biotransformations	[6]
Aldo-keto reductase family 1 member C4 (AKR1C4)	OTW2MMOF	AK1C4_HUMAN	Biotransformations	[6]

References

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• [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: 405).
• [3] 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: 406).
• [4] 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: 408).
• [5] 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: 415).
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