Details of the Drug

General Information of Drug (ID: DMU5PFD)

Drug Name

Org-7797

Synonyms

org7797; 80177-51-1; Org 7797; SCHEMBL11227348; EINECS 279-413-5; AKOS030532756; (3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17beta-yl)(methyl)ammonium hydrogen maleate; Estra-1,3,5(10)-triene-3,16-diol, 17-(methylamino)-, (16alpha,17beta)-, (Z)-2-butenedioate (1:1) (salt)

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

417.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C23H31NO6
IUPAC Name: (Z)-but-2-enedioic acid;(8R,9S,13S,14S,16R,17R)-13-methyl-17-(methylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
Canonical SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2NC)O)CCC4=C3C=CC(=C4)O.C(=C\\C(=O)O)\\C(=O)O
InChI: InChI=1S/C19H27NO2.C4H4O4/c1-19-8-7-14-13-6-4-12(21)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20-2;5-3(6)1-2-4(7)8/h4,6,9,14-18,20-22H,3,5,7-8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15-,16+,17-,18+,19+;/m1./s1
InChIKey: UDCGSEPMGRJOAG-IQQQYFTASA-N

Cross-matching ID

PubChem CID: 9866662
CAS Number: 80177-51-1
TTD ID: D02GMT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000279)
2	Electrophysiologic effects of Org 7797, a new steroidal antiarrhythmic agent: comparison with class 1a, 1b, and 1c drugs. J Cardiovasc Pharmacol. 1989 Aug;14(2):205-12.