MetaADEDB 2.0 @ LMMD
desirudin
(XYWBJDRHGNULKG-OUMQNGNKSA-N)
Structure
SMILES
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CC(=O)O)CC(=O)N)Cc1cnc[nH]1)CO)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)CCC(=O)N)CC(=O)N)CCCCN)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N)Cc2ccc(cc2)O)CC(=O)O)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)N)CCC(=O)N)CO)CC(C)C)C(C)C)CCC(=O)O
Molecular Formula:
C287H440N80O110S6
Molecular Weight:
6963.420
Log P:
-9.2438
Hydrogen Bond Acceptor:
195
Hydrogen Bond Donor:
99
TPSA:
3238.69
CAS Number(s):
120993-53-5
Synonym(s)
1.
desirudin
2.
CGP 39393
3.
CGP-39393
4.
IK-HIR02
5.
Iprivask
6.
Revasc
7.
desulfatohirudin
8.
desulphatohirudin
9.
recombinant HV1 hirudin
External Link(s)
MeSHC060225
PubChem Compound137528228
16129703
Therapeutic Target DatabaseD00UOR
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Anaphylactic shockSIDER
2Anaphylactoid ReactionSIDER
3Arterial Occlusive Diseases1995089CTD
4Bladder painSIDER
5Chest PainSIDER
6ConstipationSIDER
7CystitisSIDER
8DermatitisSIDER
9DizzinessSIDER
10EpistaxisSIDER
11Feeling abnormalSIDER
12HyperpyrexiaSIDER
13HypersensitivitySIDER
14HypotensionSIDER
15InfectionSIDER
16InfestationSIDER
17Injection site massSIDER
18Leg edemaSIDER
19Major bleedSIDER
20MalnutritionSIDER
21NauseaSIDER
22OliguriaSIDER
23PainSIDER
24ShockSIDER
25ThrombophlebitisSIDER
26Thrombosis1995089
14593979		CTD
SIDER
27Urinary RetentionSIDER
28Urinary tract infectionSIDER
29UrticariaSIDER
30VomitingSIDER
31nervous system disorderSIDER
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