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Compound Detail

CHEMBL1191844

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC=N)cccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191844
Phase Preclinical
Structure Type MOL
InChI Key WMVAZKOHTWSIEF-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.10
ALogP
7
HBA
3
HBD
117.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O4
MW 390.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.84

Data from ChEMBL 36 via Core Engine