Details of the Drug

General Information of Drug (ID: DMVH3I7)

Drug Name

NM-135

Synonyms

Glucocorticoid, Nissin Food

Indication

Disease Entry	ICD 11	Status	REF
Dermatitis	EA80-EA89	Discontinued in Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 4

Molecular Weight (mw)

1029.099

Logarithm of the Partition Coefficient (xlogp)

10.5

Rotatable Bond Count (rotbonds)

17

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

15

Chemical Identifiers

Formula: C60H62F2O13
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate
Canonical SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=C(C=C6)C)OC(=O)C7=CC=C(C=C7)C)OC(=O)C8=CC=C(C=C8)C)OC(=O)C9=CC=C(C=C9)C)C)O)F)C)F
InChI: InChI=1S/C60H62F2O13/c1-32-8-16-37(17-9-32)53(66)70-31-47-50(73-54(67)38-18-10-33(2)11-19-38)51(74-55(68)39-20-12-34(3)13-21-39)52(75-56(69)40-22-14-35(4)15-23-40)57(72-47)71-30-46(64)49-36(5)26-42-43-28-45(61)44-27-41(63)24-25-59(44,7)60(43,62)48(65)29-58(42,49)6/h8-25,27,36,42-43,45,47-52,57,65H,26,28-31H2,1-7H3/t36-,42+,43+,45+,47-,48+,49-,50-,51+,52-,57-,58+,59+,60+/m1/s1
InChIKey: BVEAZFTXNPWHMR-QBKHVOGRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucocorticoid receptor (NR3C1)	TTYRL6O	GCR_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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 800011462)
2	Local anti-inflammatory activity and systemic side effects of NM-135, a new prodrug glucocorticoid, in an experimental inflammatory rat model. Jpn J Pharmacol. 1998 Dec;78(4):505-9.