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Compound Detail

CHEMBL3971713

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C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CNCc4ccc(/C=C/C(=O)NO)cc4)cc3)cc12)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3971713
Phase Preclinical
Structure Type MOL
InChI Key PAHIRCOTELPEBD-RDOKFVIMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
5.61
ALogP
6
HBA
5
HBD
115.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30N6O2
MW 518.62
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine