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Compound Detail

CHEMBL1187356

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OCCCOc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187356
Phase Preclinical
Structure Type MOL
InChI Key QPPZFSRZSRBETL-TZRRMPRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.6
MW (Da)
3.42
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H35NO3
MW 385.55
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.99

Data from ChEMBL 36 via Core Engine