SD-0006

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Synonyms:	Sd-0006 SD0006 SD-06
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	C57VF8YO91

Structure


InChI Key	CATQHDWESBRRQA-UHFFFAOYSA-N
Smile	O=C(CO)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChI	InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H20ClN5O2
Molecular Weight	397.87
AlogP	2.89
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	95.0
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	MAP kinase p38 alpha inhibitor	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily	-	110	-	-	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	-	-	-	16

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
ChEBI	82712
ChEMBL	CHEMBL1090173
DrugBank	DB07943
EPA CompTox	DTXSID60432080
FDA SRS	C57VF8YO91
PDB	I47
PubChem	9865587
SureChEMBL	SCHEMBL4891685
ZINC	ZINC000006718469

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