Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5D822Y3L1H

Structure

InChI Key IAYGCINLNONXHY-LBPRGKRZSA-N
Smile NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1
InChI
InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19FN4O2S
Molecular Weight 362.43
AlogP 2.53
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 96.25
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serine/threonine-protein kinase Chk1 inhibitor PubMed Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 131156
ChEMBL CHEMBL2041933
DrugBank DB12242
FDA SRS 5D822Y3L1H
Guide to Pharmacology 7713
PDB YDJ
PubChem 11152667
SureChEMBL SCHEMBL1127614
ZINC ZINC000033359230