NEDISERTIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GN429E725A

Structure
InChI Key MOWXJLUYGFNTAL-DEOSSOPVSA-N
Smile COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1
InChI
InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H21ClFN5O3
Molecular Weight 481.92
AlogP 3.81
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 93.49
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Small Cell Lung Carcinoma 1 D055752 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Neuroendocrine Tumors 1 D018358 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297629
DrugBank DB16252
FDA SRS GN429E725A
Guide to Pharmacology 9766
SureChEMBL SCHEMBL16235559
CONTENTS