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Compound Detail

CHEMBL3605652

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CC(C)c1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC(C)(C)C)c2ccsc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3605652
Phase Preclinical
Structure Type MOL
InChI Key RTAZOFQUSYLGNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

487.7
MW (Da)
6.58
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N3O2S
MW 487.67
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
26190463 10.1016/j.bmc.2015.06.039 Unchecked 3

Data from ChEMBL 36 via Core Engine