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Compound Detail

CHEMBL3139283

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CC(C)Oc1ccc(-c2nnn[nH]2)c(O[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)c1

Basic Information

ChEMBL ID CHEMBL3139283
Phase Preclinical
Structure Type MOL
InChI Key QYFXNAVRKUHQJX-LOUJCGABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.26
ALogP
7
HBA
3
HBD
122.2
PSA (Ų)
0.67
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 C20H27N5O4
MW 401.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine