ASCIMINIB HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Unknown
Molecule Category: UNKNOWN

Structure
InChI Key HGCOOPLEWPBLOY-PFEQFJNWSA-N
Smile Cl.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1
InChI
InChI=1S/C20H18ClF2N5O3.ClH/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28;/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30);1H/t14-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19Cl2F2N5O3
Molecular Weight 486.31
AlogP 3.46
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 103.37
Molecular species None
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bcr/Abl fusion protein inhibitor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 4 D015464 FDA
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