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Compound Detail

CHEMBL3298513

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CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCI
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3298513
Phase Preclinical
Structure Type MOL
InChI Key ZRDBNWYPWOTZEA-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.3
MW (Da)
2.67
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23IN2O3
MW 418.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
24900862 10.1021/ml500088x RAC-alpha serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine