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Compound Detail

CHEMBL2368850

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C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368850
Phase Preclinical
Structure Type MOL
InChI Key NJUNEVWBOUTAKR-MQNAVGNWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
4.55
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO
MW 335.49
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.99

Data from ChEMBL 36 via Core Engine