ACHN-975

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 48CET2EN53

Structure
InChI Key GOCUUDXEOKIQRU-IXDOHACOSA-N
Smile CC(C)(N)[C@H](NC(=O)c1ccc(C#CC#C[C@@H]2C[C@H]2CO)cc1)C(=O)NO
InChI
InChI=1S/C20H23N3O4/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26)/t15-,16+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N3O4
Molecular Weight 369.42
AlogP 0.01
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 124.68
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3939284
FDA SRS 48CET2EN53
PDB A5F
PubChem 71466517
SureChEMBL SCHEMBL13738077
ZINC ZINC000144488152
CONTENTS