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]
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
ChEBI ID
CHEMBL149394
CAS Number
35661-60-0
TTD ID
D01ASM
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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]
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 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.