MetaADEDB 2.0 @ LMMD
Aprotinin
(ZPNFWUPYTFPOJU-YSFZTAPISA-N)
Structure
SMILES
NCCCC[C@@H]1NC(=O)[C@H]2CSSC[C@H]3NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)C)CCCCN)CCCNC(=N)N)CC(=O)N)CC(=O)N)Cc3ccccc3)CCCCN)CO)C)CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3[C@@H](C(=O)N4[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N5[C@H](C(=O)N2)CCC5)[C@@H](O)C)Cc2ccc(cc2)O)CCC4)CCC3)CCC(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(=N)N)N)CC(=O)O)Cc2ccccc2)C(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)O)C)[C@H](O)C)CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)CCCNC(=N)N)[C@H](CC)C)[C@@H](CC)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)N)C)CCCCN)C)[C@H](O)C)C(C)C
Molecular Formula:
C284H432N84O79S7
Molecular Weight:
6511.440
Log P:
4.3069
Hydrogen Bond Acceptor:
170
Hydrogen Bond Donor:
93
TPSA:
2822.84
CAS Number(s):
9087-70-1
Synonym(s)
1.
Aprotinin
2.
BPTI, Basic Pancreatic Trypsin Inhibitor
3.
Basic Pancreatic Trypsin Inhibitor
4.
Bovine Kunitz Pancreatic Trypsin Inhibitor
5.
Kallikrein-Trypsin Inactivator
6.
Kunitz Pancreatic Trypsin Inhibitor
7.
Trypsin Inhibitor, Basic, Pancreatic
8.
Trypsin Inhibitor, Kunitz, Pancreatic
9.
Antilysin
10.
Bovine Pancreatic Trypsin Inhibitor
11.
Contrical
12.
Contrykal
13.
Dilmintal
14.
Iniprol
15.
Kontrikal
16.
Kontrykal
17.
Pulmin
18.
Traskolan
19.
Trasylol
20.
Zymofren
21.
Inactivator, Kallikrein-Trypsin
22.
Kallikrein Trypsin Inactivator
External Link(s)
MeSHD007611
PubChem Compound53487898
Therapeutic Target DatabaseD08XYX
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Product use in unapproved indicationFAERS: 2US FAERS
2Atrial thrombosisFAERS: 1US FAERS
3Myocardial InfarctionFAERS: 1US FAERS
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