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Compound Detail

CHEMBL32237

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O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCN2CCCCC2)co1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32237
Phase Preclinical
Structure Type MOL
InChI Key DOIJOASZOIYXAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
4.19
ALogP
6
HBA
2
HBD
104.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N3O5
MW 509.65
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine