Details of the Drug

General Information of Drug (ID: DMOMVW9)

Drug Name

NPC-15669

Synonyms

Npc-15669; Npc 15669; UNII-K6JBN2T3Z4; K6JBN2T3Z4; N-(9H-(2,7-Dimethylfluoren-9-ylmethoxy)carbonyl)leucine; N-(((2,7-Dimethyl-9H-fluoren-9-yl)methoxy)carbonyl)-L-leucine; L-Leucine, N-(((2,7-dimethyl-9H-fluoren-9-yl)methoxy)carbonyl)-; AC1L3OOH; 132684-62-9; CHEMBL42385; SCHEMBL8066678; LS-187592; LS-186942; (2S)-2-[(2,7-dimethyl-9H-fluoren-9-yl)methoxycarbonylamino]-4-methylpentanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

381.5

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C23H27NO4
IUPAC Name: (2S)-2-[(2,7-dimethyl-9H-fluoren-9-yl)methoxycarbonylamino]-4-methylpentanoic acid
Canonical SMILES: CC1=CC2=C(C=C1)C3=C(C2COC(=O)N[C@@H](CC(C)C)C(=O)O)C=C(C=C3)C
InChI: InChI=1S/C23H27NO4/c1-13(2)9-21(22(25)26)24-23(27)28-12-20-18-10-14(3)5-7-16(18)17-8-6-15(4)11-19(17)20/h5-8,10-11,13,20-21H,9,12H2,1-4H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKey: SEHPSBSPFWAVPK-NRFANRHFSA-N

Cross-matching ID

PubChem CID: 119365
CAS Number: 132684-62-9
TTD ID: D0OB7J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polymorphonuclear neutrophil adhesion (PMNA)	TTJAY96	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 800001544)
2	NPC 15669-modulated human polymorphonuclear neutrophil functional responsiveness: effects on receptor-coupled signal transduction. Br J Pharmacol. 1995 Apr;114(8):1694-702.