Details of the Drug

General Information of Drug (ID: DME6KAF)

Drug Name

NPC-15199

Synonyms

2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid; F-L-Leu; CHEMBL294989; PPARgamma Activator, Fmoc-Leu; 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid; Fmoc-DL-leucine; N-alpha-Fmoc-L-leucine; NSC334290; ACMC-209iik; AC1L1HVH; n-[(9h-fluoren-9-ylmethoxy)carbonyl]leucin; ACMC-2099ky; AC1Q5SK7; 126727-03-5; 2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoic acid; (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-4-methylpentanoic acid; GTPL2705; SCHEMBL1002861; CHEBI:91726; CTK8G6077; MolPort-003-700-319; HMS3266H19; SBB056939; IN1334; BDBM50034787; AKOS017268980

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

353.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H23NO4
IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
Canonical SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI: InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey: CBPJQFCAFFNICX-IBGZPJMESA-N

Cross-matching ID

PubChem CID: 1549133
CAS Number: 35661-60-0
TTD ID: D01ASM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium release (Ca rele)	TTW6MKR	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 800001904)
2	NPC-15199, a novel anti-inflammatory agent, mobilizes intracellular Ca2+ in bladder female transitional carcinoma (BFTC) cells. Chin J Physiol. 2000 Mar 31;43(1):29-33.