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Compound Detail

CHEMBL4289659

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CC(=O)Oc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(CNC(=O)CCCC[C@H]3SCC4NC(=O)NC43)CCC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4289659
Phase Preclinical
Structure Type MOL
InChI Key UFYKWSJJYIKUES-QLSCGDIWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

569.8
MW (Da)
5.59
ALogP
5
HBA
3
HBD
96.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H47N3O4S
MW 569.81
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness 0.77

Literature References

PubMed DOI Target Context # Activities
30056282 10.1016/j.ejmech.2018.07.051 NIH3T3 1
30056282 10.1016/j.ejmech.2018.07.051 HT-29 1
30056282 10.1016/j.ejmech.2018.07.051 FaDu 1
30056282 10.1016/j.ejmech.2018.07.051 A2780 1
30056282 10.1016/j.ejmech.2018.07.051 SW-1736 1
30056282 10.1016/j.ejmech.2018.07.051 MCF7 1

Data from ChEMBL 36 via Core Engine