PIMASERTIB HYDROCHLORIDE

Search structure


Synonyms:	EMD 1036950 EMD-1036950 Msc1936369b MSC-1936369B MSC1936369B Pimasertib hydrochloride
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	6GS1ULF5HV

Structure


InChI Key	HIEXZUXKTABHCP-PPHPATTJSA-N
Smile	Cl.O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F
InChI	InChI=1S/C15H15FIN3O3.ClH/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21;/h1-5,7,10,20-22H,6,8H2,(H,19,23);1H/t10-;/m0./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H16ClFIN3O3
Molecular Weight	467.67
AlogP	1.65
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	94.48
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	23.0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Neoplasms	1	D009369	ClinicalTrials
Neoplasms	1	D009369	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
ChEMBL	CHEMBL4297676
EPA CompTox	DTXSID60154058
FDA SRS	6GS1ULF5HV
PubChem	52918382
SureChEMBL	SCHEMBL18260054

CONTENTS