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Compound Detail

CHEMBL1187297

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NC(=O)COc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187297
Phase Preclinical
Structure Type MOL
InChI Key KRZFDBFJUUOCIA-AKIFATBCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.52
ALogP
4
HBA
2
HBD
75.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O3
MW 384.52
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine