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Compound Detail

CHEMBL338401

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CC(=O)Nc1cnc(SCc2ncc(C(C)(C)C)o2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338401
Phase Preclinical
Structure Type MOL
InChI Key VPNZANHNZNKLCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.68
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N3O2S2
MW 311.43
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
12190313 10.1021/jm0201520 Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine