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Compound Detail

CHEMBL3139272

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COc1cccc(N[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)c1-c1nnn[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139272
Phase Preclinical
Structure Type MOL
InChI Key ZSVWDIRZUIANPE-OPDFLTKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
1.52
ALogP
7
HBA
4
HBD
125.0
PSA (Ų)
0.62
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 C18H24N6O3
MW 372.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine