CC-401

Search structure


Synonyms:	Cc-401
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	PubMed Other

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	-	-	-

Indications

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

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

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

CONTENTS