RGB-286638

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1GAJ98SC2X

Structure
InChI Key XLSYZSRXVVCHLS-UHFFFAOYSA-N
Smile COCCN1CCN(Cc2ccc(-c3n[nH]c4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)cc2)CC1
InChI
InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H35N7O4
Molecular Weight 545.64
AlogP 2.42
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 115.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclin-dependent kinase 1 inhibitor PubMed
Primary Target
cyclin dependent kinase 1
cyclin dependent kinase 2
cyclin dependent kinase 3
cyclin dependent kinase 4
cyclin dependent kinase 5
cyclin dependent kinase 9
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 2 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 2 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 2 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 1 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 1 - - -
Enzyme Kinase Protein kinase regulatory subunit
- 2 - - -
Other cytosolic protein
- 1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hematologic Neoplasms 1 D019337 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545083
EPA CompTox DTXSID00229072
FDA SRS 1GAJ98SC2X
Guide to Pharmacology 7744
PubChem 11285001
SureChEMBL SCHEMBL10087436
ZINC ZINC000043128366
CONTENTS