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Compound Detail

CHEMBL291471

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CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL291471
Phase Preclinical
Structure Type MOL
InChI Key PAOANWZGLPPROA-OFRRTHGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.5
MW (Da)
-0.16
ALogP
11
HBA
6
HBD
197.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N7O6
MW 499.53
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine