SARECYCLINE

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01AA14
UNII: 94O110CX2E

Structure
InChI Key PQJQFLNBMSCUSH-SBAJWEJLSA-N
Smile CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
InChI
InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N3O8
Molecular Weight 487.51
AlogP 0.11
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 173.86
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 3 D000152 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 1035654-66-0
ChEMBL CHEMBL2364632
DrugBank DB12035
DrugCentral 5298
FDA SRS 94O110CX2E
PDB V7A
SureChEMBL SCHEMBL2699170
ZINC ZINC000072319783
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