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Compound Detail

CHEMBL3235331

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CN1CCCC2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(N)=O)cc3)C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3235331
Phase Preclinical
Structure Type MOL
InChI Key DYLPCDNAHCLYIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
2.96
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O2
MW 367.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
24673104 10.1021/jm500042s Heat shock protein HSP 90-alpha 1
24673104 10.1021/jm500042s Heat shock protein HSP 90-beta 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