PL-3994

Search structure
Synonyms:
Status: Phase 2
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: YI2S0GUQ2C

Structure
InChI Key HSHVZRILAMZYHY-WXSGKXQHSA-N
Smile CCCCCCC(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@H](C(N)=O)NC(=O)[C@@H]2CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
InChI
InChI=1S/C82H127N27O20S2/c1-6-9-11-15-25-62(112)98-59-41-130-131-42-60(76(126)104-56(34-47-26-28-49(111)29-27-47)79(129)109-39-57(66(83)116)105-77(127)61(109)24-18-32-93-82(88)89)107-74(124)58(40-110)106-78(128)65(44(4)8-3)108-70(120)52(23-17-31-92-81(86)87)100-73(123)55(36-64(114)115)103-69(119)51(21-10-7-2)99-68(118)50(22-16-30-91-80(84)85)97-63(113)38-94-67(117)45(5)96-71(121)53(33-46-19-13-12-14-20-46)101-72(122)54(102-75(59)125)35-48-37-90-43-95-48/h12-14,19-20,26-29,37,43-45,50-61,65,110-111H,6-11,15-18,21-25,30-36,38-42H2,1-5H3,(H2,83,116)(H,90,95)(H,94,117)(H,96,121)(H,97,113)(H,98,112)(H,99,118)(H,100,123)(H,101,122)(H,102,125)(H,103,119)(H,104,126)(H,105,127)(H,106,128)(H,107,124)(H,108,120)(H,114,115)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t44-,45+,50-,51+,52-,53-,54-,55-,56-,57+,58-,59+,60-,61-,65-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C82H127N27O20S2
Molecular Weight 1875.22
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
AGONIST Atrial natriuretic peptide receptor A agonist PubMed
Primary Target
Guanylyl cyclase-A

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 952295-80-6
ChEMBL CHEMBL4297320
FDA SRS YI2S0GUQ2C
Guide to Pharmacology 9067
PubChem 121488161
CONTENTS