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Compound Detail

CHEMBL1627474

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CCOc1cc2c(cc1O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627474
Phase Preclinical
Structure Type MOL
InChI Key YEFYZUYMZYEVNF-CBUUZNDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
4.46
ALogP
6
HBA
3
HBD
108.2
PSA (Ų)
0.53
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 C27H34N2O5S
MW 498.65
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.64

Literature References

PubMed DOI Target Context # Activities
9240348 10.1021/jm9700833 HOP-62 1
9240348 10.1021/jm9700833 HCT-116 1
9240348 10.1021/jm9700833 SF-539 1
9240348 10.1021/jm9700833 OVCAR-3 1
9240348 10.1021/jm9700833 SN12C 1
9240348 10.1021/jm9700833 DU-145 1
9240348 10.1021/jm9700833 MDA-MB-435 1
9240348 10.1021/jm9700833 Panel (Carcinoma cell lines) 1
9240348 10.1021/jm9700833 Tubulin 1

Data from ChEMBL 36 via Core Engine