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Compound Detail

CHEMBL3991188

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COc1cc(OC)cc(N(CC#Cc2ccncc2)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991188
Phase Preclinical
Structure Type MOL
InChI Key PWYSFHRYCZIJJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
5.68
ALogP
8
HBA
0
HBD
78.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N6O2
MW 504.59
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine