RABUSERTIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3S9L1NU6U7

Structure
InChI Key SYYBDNPGDKKJDU-ZDUSSCGKSA-N
Smile Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
InChI
InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22BrN5O3
Molecular Weight 436.31
AlogP 2.87
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 97.4
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase Chk1 inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- 10 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 28100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Pancreatic Neoplasms 1 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 124917
ChEMBL CHEMBL3039517
DrugBank DB11662
EPA CompTox DTXSID50238417
FDA SRS 3S9L1NU6U7
Guide to Pharmacology 7960
PubChem 11955855
SureChEMBL SCHEMBL304747
ZINC ZINC000070466463
CONTENTS