Details of the Drug

General Information of Drug (ID: DMV34O2)

Drug Name

Platelet factor 4 (PF-4)

Synonyms

Platelet factor 4 (59-70); 88145-47-5; PF4 (59-70); DTXSID30236855; L-Serine, N-(N-(N-(N-(N2-(N2-(N-(N-(N2-(N2-(N-L-leucyl-L-tyrosyl)-L-lysyl)-L-lysyl)-L-isoleucyl)-L-isoleucyl)-L-lysyl)-L-lysyl)-L-leucyl)-L-leucyl)-L-alpha-glutamyl)-, (6R-(6alpha,7beta(Z)))-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 5

Molecular Weight (mw)

1475.9

Logarithm of the Partition Coefficient (xlogp)

-2.7

Rotatable Bond Count (rotbonds)

55

Hydrogen Bond Donor Count (hbonddonor)

20

Hydrogen Bond Acceptor Count (hbondacc)

22

Chemical Identifiers

Formula: C71H126N16O17
IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-5-oxopentanoic acid
Canonical SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(C)C)N
InChI: InChI=1S/C71H126N16O17/c1-11-43(9)58(87-70(102)59(44(10)12-2)86-65(97)51(24-16-20-34-75)78-61(93)48(21-13-17-31-72)79-68(100)55(38-45-25-27-46(89)28-26-45)82-60(92)47(76)35-40(3)4)69(101)81-50(23-15-19-33-74)62(94)77-49(22-14-18-32-73)63(95)83-54(37-42(7)8)67(99)84-53(36-41(5)6)66(98)80-52(29-30-57(90)91)64(96)85-56(39-88)71(103)104/h25-28,40-44,47-56,58-59,88-89H,11-24,29-39,72-76H2,1-10H3,(H,77,94)(H,78,93)(H,79,100)(H,80,98)(H,81,101)(H,82,92)(H,83,95)(H,84,99)(H,85,96)(H,86,97)(H,87,102)(H,90,91)(H,103,104)/t43-,44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1
InChIKey: SVIMOXOHMCOIRM-UVKYVJJHSA-N

Cross-matching ID

PubChem CID: 56842294
CAS Number: 88145-47-5
TTD ID: D0IE6Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fibroblast growth factor receptor 2 (FGFR2)	TTGJVQM	FGFR2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Fibroblast growth factor receptor 2 (FGFR2)	DTT	FGFR2	4.82E-01	-0.03	-0.2

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3685).
2	A short peptide domain of platelet factor 4 blocks angiogenic key events induced by FGF-2. FASEB J. 2001 Mar;15(3):550-2.