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Compound Detail

CHEMBL3235348

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CN1CCc2c3c(n(-c4ccc5c(c4)CCCNC5=O)c2C1)CC(C)(C)CC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3235348
Phase Preclinical
Structure Type MOL
InChI Key RAINWXVSHGFULP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.30
ALogP
4
HBA
1
HBD
54.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O2
MW 391.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
24673104 10.1021/jm500042s Heat shock protein HSP 90-beta 2
24673104 10.1021/jm500042s Heat shock protein HSP 90-alpha 1
24673104 10.1021/jm500042s Endoplasmin 1
24673104 10.1021/jm500042s Heat shock protein 75 kDa, mitochondrial 1

Data from ChEMBL 36 via Core Engine