VELSECORAT

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P30N0911C2

Structure
InChI Key ZZWJKLGCDHYVMB-BWGXUDETSA-N
Smile C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1)c1ccc2c(c1)OCCO2
InChI
InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H32F2N4O6
Molecular Weight 606.63
AlogP 4.6
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 112.94
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 44.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 0-1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3666807
FDA SRS P30N0911C2
Guide to Pharmacology 9325
PubChem 139593415
SureChEMBL SCHEMBL1456757
ZINC ZINC000068152777
CONTENTS