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Compound Detail

CHEMBL4301482

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CCCCCCCCc1ccc([C@@H]2CC[C@H]3C[C@H](CO)CN32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301482
Phase Preclinical
Structure Type MOL
InChI Key IWPMJNIKQITPRP-BVSLBCMMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
5.11
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H35NO
MW 329.53
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.61

Data from ChEMBL 36 via Core Engine