NAFITHROMYCIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 75F74Y2R70

Structure
InChI Key RLFCSBSRGRJFRO-QAOQTAGDSA-N
Smile CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](/C(N)=N/O[C@@H](C)c3nnc(-c4ccccn4)s3)C(=O)O[C@@]21C
InChI
InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28-,29-,30+,33-,34-,40+,41-,42-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H62N6O11S
Molecular Weight 859.06
AlogP 4.12
Hydrogen Bond Acceptor 17.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 224.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 60.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia, Bacterial 2 D018410 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL4297519
FDA SRS 75F74Y2R70
Guide to Pharmacology 10834
PubChem 117587595
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