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Compound Detail

CHEMBL5955123

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O=C(N[C@H]1COC[C@@H]2CCCN2C1=O)c1nnc(Cc2ccccc2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5955123
Phase Preclinical
Structure Type MOL
InChI Key TXYVSBLTBUNVET-KBPBESRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
0.52
ALogP
5
HBA
2
HBD
100.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N5O3
MW 355.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine