SELICICLIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0ES1C2KQ94

Structure
InChI Key BTIHMVBBUGXLCJ-OAHLLOKOSA-N
Smile CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
InChI
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26N6O
Molecular Weight 354.46
AlogP 3.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 87.89
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cyclin-dependent kinase 1 inhibitor PubMed PubMed PubMed
Primary Target
cyclin dependent kinase 2
cyclin dependent kinase 9
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - - - 29
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 3200 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- - - - 28
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - - - 29
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 3200 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-g
- - 2900 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- 4000-49000 160-320 - 1
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
151 100-708 2900-3400 250 10-70
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 160-1080 1900-2000 - 40-85
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 360-800 1800 - 26-87
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 220-2694 - 790 19-87
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 990 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- 1200-4300 1200-2100 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- 1200-18000 1100 - 63
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- 1700 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 60000 - - 13
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 14000-75000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
151 100-708 1200-2100 250 40-85
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - - - 10
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TTK family
- - 1600-2100 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKB subfamily
- 6900 - - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - - - 38
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - 2300 - -
Enzyme Kinase Protein Kinase
151 100-708 1200-2100 250 40-85
Enzyme Kinase Protein kinase regulatory subunit
- 160-1080 - - 40-85
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
27580 23400 - - -
Other cytosolic protein
151 100-708 - 250 10-70
Unclassified protein
- 2200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Pituitary ACTH Hypersecretion 2 D047748 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 186692-46-6
ChEBI 45307
ChEMBL CHEMBL14762
DrugBank DB06195
EPA CompTox DTXSID20171928
FDA SRS 0ES1C2KQ94
Guide to Pharmacology 6035
PDB RRC
PubChem 160355
SureChEMBL SCHEMBL94728
ZINC ZINC000001649340
CONTENTS