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Compound Detail

CHEMBL1194175

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COc1cc2c(cc1OC)C(c1ccnc(-n3nc(-c4cncnc4)c4ccccc4c3=O)c1)=N[C@H](CO)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194175
Phase Preclinical
Structure Type MOL
InChI Key XARBLJKEGWJAGR-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.5
MW (Da)
3.01
ALogP
10
HBA
1
HBD
124.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H24N6O4
MW 520.55
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine