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Compound Detail

CHEMBL3928197

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C[C@@H](Nc1ncnc2[nH]c(-c3ccc(NCCCCCC(=O)NO)cc3)cc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3928197
Phase Preclinical
Structure Type MOL
InChI Key FNANQHLUVWSCJD-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
5.28
ALogP
6
HBA
5
HBD
115.0
PSA (Ų)
0.12
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O2
MW 458.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine