CC-401

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NOE38VQA1W

Structure
InChI Key XDJCLCLBSGGNKS-UHFFFAOYSA-N
Smile c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4nnc[nH]4)cc23)c1
InChI
InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N6O
Molecular Weight 388.48
AlogP 3.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 82.72
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR c-Jun N-terminal kinase 1 inhibitor
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 MELK subfamily
- 340-340 217 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 483 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 56 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-g
- - 97 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- 1512 105 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- 441.1-2854 5.966 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- 218.2-249.8 3.312-161 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- 4309 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 2802 1277.58 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 3243 25 -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 584 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 1464 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 2343 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - - 20 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - - 20 -
Enzyme Lyase
- - 32384 - -
Enzyme Oxidoreductase
- - 1413 - -
Enzyme Transferase
- - - - 7.71
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -25.05--2.74
Unclassified protein
- - 2529 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid 1 D007951 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 395104-30-0
ChEBI 91437
ChEMBL CHEMBL1614713
DrugBank DB12432
EPA CompTox DTXSID40192650
FDA SRS NOE38VQA1W
PubChem 10430360
SureChEMBL SCHEMBL4604749
ZINC ZINC000038836256
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