TP-1287

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7MPP85IIJ3

Structure
InChI Key YRNFLVUMZIRYKY-BLLLJJGKSA-N
Smile CN1CC[C@H](c2c(OP(=O)(O)O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1
InChI
InChI=1S/C21H21ClNO8P/c1-23-7-6-12(16(26)10-23)19-18(31-32(27,28)29)9-15(25)20-14(24)8-17(30-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,16,25-26H,6-7,10H2,1H3,(H2,27,28,29)/t12-,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21ClNO8P
Molecular Weight 481.83
AlogP 3.07
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 140.67
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sarcoma 1 D012509 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594423
FDA SRS 7MPP85IIJ3
PubChem 124083048
SureChEMBL SCHEMBL18251861
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