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Compound Detail

CHEMBL4281966

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CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNC(=O)c3ccc(Cl)cc3)CCC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4281966
Phase Preclinical
Structure Type MOL
InChI Key RVLPEBSNVALPFL-DOEKTCAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

424.0
MW (Da)
6.90
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34ClNO
MW 424.03
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.52

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 MCF7 1
30056282 10.1016/j.ejmech.2018.07.051 A2780 1
30056282 10.1016/j.ejmech.2018.07.051 FaDu 1
30056282 10.1016/j.ejmech.2018.07.051 HT-29 1
30056282 10.1016/j.ejmech.2018.07.051 SW-1736 1

Data from ChEMBL 36 via Core Engine