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Compound Detail

CHEMBL3139586

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O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cc(OCc4ccccc4)ccc3-c3nnn[nH]3)CC[C@H]2CN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139586
Phase Preclinical
Structure Type MOL
InChI Key ZOJUIVFYPJNVBT-NZGUISNBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
3.06
ALogP
7
HBA
3
HBD
122.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5O4
MW 449.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine