Details of the Drug

General Information of Drug (ID: DMLKS7W)

Drug Name

NV-5138

Synonyms

UNII-06CA9QMG6Z; 4-(difluoromethyl)-L-leucine; 2095886-80-7; SCHEMBL18762589; ZINC585143195; HY-114384; N[C@H](C(=O)O)CC(C(F)F)(C)C; CS-0084893; ((S)-2-Amino-5,5-difluoro-4,4-dimethylpentanoic acid; Pentanoic acid, 2-amino-5,5-difluoro-4,4-dimethyl-, (2S)-; K94

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

181.18

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C7H13F2NO2
IUPAC Name: (2S)-2-amino-5,5-difluoro-4,4-dimethylpentanoic acid
Canonical SMILES: CC(C)(C[C@@H](C(=O)O)N)C(F)F
InChI: InChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1
InChIKey: HRFIMCJTDKEPPV-BYPYZUCNSA-N

Cross-matching ID

PubChem CID: 129050791
CAS Number: 2095886-80-7
TTD ID: DAT0U5

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mammalian target of rapamycin complex 1 (mTORC1)	TTX4GLS	MTOR_HUMAN-RPTOR_HUMAN-LST8_HUMAN-AKTS1_HUMAN-DPTOR_HUMAN	Activator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03606395) Safety, Tolerability, PK and Efficacy of Single Doses of NV-5138 in Healthy Volunteers and Subjects With Treatment-Resistant Depression. U.S. National Institutes of Health.
2	Sestrin modulator NV-5138 produces rapid antidepressant effects via direct mTORC1 activation. J Clin Invest. 2019 Apr 16;129(6):2542-2554.