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Compound Detail

CHEMBL1762159

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CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(N2CCNCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762159
Phase Preclinical
Structure Type MOL
InChI Key XWXBFXABLBPSRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
3.85
ALogP
6
HBA
1
HBD
68.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F3N5O2S
MW 479.53
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
21441024 10.1016/j.bmcl.2011.03.003 Insulin-like growth factor 1 receptor 1
21441024 10.1016/j.bmcl.2011.03.003 No relevant target 1

Data from ChEMBL 36 via Core Engine